SCHEMBL3863547

SCHEMBL3863547

O=c1[nH]cnc2sncc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.45
TMIGD3 P0DMS9 1/20 0.45
CYP2C9 P11712 1/20 0.45
ADORA1 P30542 1/20 0.45
LMNA P02545 2/20 0.44
RAB9A P51151 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
TSHR P16473 1/20 0.44
ADORA2A P29274 1/20 0.44
SLC6A4 P31645 1/20 0.44
ADRA1A P35348 1/20 0.44
XDH P47989 1/20 0.44
BLM P54132 1/20 0.44
ALDH1A1 P00352 4/20 0.42
HPGD P15428 1/20 0.42
KDM4A O75164 1/20 0.42
KDM4B O94953 1/20 0.42
KDM5C P41229 1/20 0.42
KDM4C Q9H3R0 1/20 0.42
KDM5B Q9UGL1 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3417708 0.68 PDPK1 (0.52) RAB9ASMN1; SMN2ALDH1A1HPGDKDM4A
SCHEMBL16815323 0.67 CYP1A2 (0.60) CYP1A2TMIGD3CYP2C9ADORA1LMNA
SCHEMBL4877959 0.65 KDM4E (0.45) CYP1A2CYP2C9LMNARAB9ASMN1; SMN2
SCHEMBL9549938 0.65 CYP1A2 (0.63) CYP1A2TMIGD3CYP2C9ADORA1LMNA
SCHEMBL925775 0.64 ELANE (0.30)
SCHEMBL4755546 0.62 KDM5A (0.49) LMNASMN1; SMN2TSHRALDH1A1HPGD
SCHEMBL15628661 0.62 PDPK1 (0.58) CYP1A2TMIGD3CYP2C9ADORA1LMNA
SCHEMBL20513836 0.62 CYP1A2 (0.58) CYP1A2TMIGD3CYP2C9ADORA1LMNA
SCHEMBL3108511 0.62 TMIGD3 (1.00) CYP1A2TMIGD3CYP2C9ADORA1LMNA
SCHEMBL21895453 0.62 PARP1 (0.54) LMNARAB9ASMN1; SMN2TSHRADORA2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0733633-A1 Heterocyclic compounds, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-09-25 EP claimed
US-12162890-B2 Heteroaromatic NMDA receptor modulators and uses thereof NOVARTIS AG (CH) 2024-12-10 US disclosed
US-20230023543-A1 HETEROAROMATIC NMDA RECEPTOR MODULATORS AND USES THEREOF NOVARTIS AG (CH) 2023-01-26 US disclosed
US-11236104-B2 Heteroaromatic NMDA receptor modulators and uses thereof CADENT THERAPEUTICS, INC. (US) 2022-02-01 US disclosed
US-20210107916-A1 HETEROAROMATIC NMDA RECEPTOR MODULATORS AND USES THEREOF NOVARTIS AG (CH) 2021-04-15 US disclosed
US-10626122-B2 Heteroaromatic NMDA receptor modulators and uses thereof CADENT THERAPEUTICS, INC. (US) 2020-04-21 US disclosed
US-20180362541-A1 HETEROAROMATIC NMDA RECEPTOR MODULATORS AND USES THEREOF NOVARTIS AG (CH) 2018-12-20 US disclosed
US-20110165183-A1 PIPERIDINE DERIVATIVES AS JAK3 INHIBITORS BIOCRYST PHARMACEUTICALS, INC. (US) 2011-07-07 US disclosed
US-20110165183-A1 PIPERIDINE DERIVATIVES AS JAK3 INHIBITORS BIOCRYST PHARMACEUTICALS, INC. (US) 2011-07-07 US disclosed
WO-2010014930-A2 THERAPEUTIC AGENTS BIOCRYST PHARMACEUTICALS, INC. (US) 2010-02-04 WO disclosed
WO-2009001214-A2 THIENO[2,3-D]PYRIMIDIN-4(3H)-ONE, ISOXAZOLO[5,4-D]PYRIMIDIN-4(5H)-ONE AND ISOTHIAZOLO[5,4-D]PYRIMIDIN-4(5H)-ONE DERIVATIVES AS CALCIUM RECEPTOR ANTAGONISTS PFIZER PRODUCTS INC. (US) 2008-12-31 WO disclosed
WO-2009001214-A2 THIENO[2,3-D]PYRIMIDIN-4(3H)-ONE, ISOXAZOLO[5,4-D]PYRIMIDIN-4(5H)-ONE AND ISOTHIAZOLO[5,4-D]PYRIMIDIN-4(5H)-ONE DERIVATIVES AS CALCIUM RECEPTOR ANTAGONISTS PFIZER PRODUCTS INC. (US) 2008-12-31 WO disclosed
US-20080293744-A1 Enantiomers of Selected Fused Pyrimidones and Uses in the Treatment and Prevention of Cancer ASTRAZENECA AB (SE) 2008-11-27 US disclosed
US-20080153854-A1 NOVEL FUSED HETEROCYCLES AND USES THEREOF ASTRAZENECA AB (SE) 2008-06-26 US disclosed
US-20070249636-A1 Selected Fused Heterocyclics and Uses Thereof ASTRAZENECA AB (SE) 2007-10-25 US disclosed
US-20060063751-A1 Novel fused heterocycles and uses thereof ASTRAZENECA AB (SE) 2006-03-23 US disclosed
US-20060041128-A1 Selected fused heterocyclics and uses thereof ASTRAZENECA AB (SE) 2006-02-23 US disclosed
US-20060041129-A1 Enantiomers of selected fused heterocyclics and uses thereof ASTRAZENECA AB (SE) 2006-02-23 US disclosed
EP-0733633-B1 Heterocyclic compounds, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2003-05-28 EP disclosed
EP-0733633-A1 Heterocyclic compounds, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-09-25 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (13 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110165183-A1 PIPERIDINE DERIVATIVES AS JAK3 INHIBITORS JAK3, JAK2, JAK1 CYP1A2 2609/4885TMIGD3 2933/4885CYP2C9 1783/4885
US-20070249636-A1 Selected Fused Heterocyclics and Uses Thereof SDHA, CYP11B2, NQO1 CYP1A2 37/4885TMIGD3 4497/4885CYP2C9 87/4885
US-11236104-B2 Heteroaromatic NMDA receptor modulators and uses thereof GRIN2C, GRIN2A, GRIN1 CYP1A2 1963/4885TMIGD3 2089/4885CYP2C9 2214/4885
US-10626122-B2 Heteroaromatic NMDA receptor modulators and uses thereof GRIN2C, GRIN2A, GRIN1 CYP1A2 1963/4885TMIGD3 2089/4885CYP2C9 2214/4885
US-20060063751-A1 Novel fused heterocycles and uses thereof RB1, CDK19, PRMT9 CYP1A2 416/4885TMIGD3 3362/4885CYP2C9 40/4885
US-12162890-B2 Heteroaromatic NMDA receptor modulators and uses thereof GRIN2C, GRIN2A, GRIN1 CYP1A2 1963/4885TMIGD3 2089/4885CYP2C9 2214/4885
US-20180362541-A1 HETEROAROMATIC NMDA RECEPTOR MODULATORS AND USES THEREOF GRIN2C, GRIN2A, GRIN1 CYP1A2 1963/4885TMIGD3 2089/4885CYP2C9 2214/4885
US-20080153854-A1 NOVEL FUSED HETEROCYCLES AND USES THEREOF RB1, CDK19, PRMT9 CYP1A2 416/4885TMIGD3 3362/4885CYP2C9 40/4885
US-20080293744-A1 Enantiomers of Selected Fused Pyrimidones and Uses in the Treatment and Prevention of Cancer DHFR, DPYD, TYMS CYP1A2 330/4885TMIGD3 4020/4885CYP2C9 461/4885
US-20060041128-A1 Selected fused heterocyclics and uses thereof SDHA, CYP11B2, NQO1 CYP1A2 37/4885TMIGD3 4497/4885CYP2C9 87/4885
US-20230023543-A1 HETEROAROMATIC NMDA RECEPTOR MODULATORS AND USES THEREOF GRIN2C, GRIN2A, GRIN1 CYP1A2 1963/4885TMIGD3 2089/4885CYP2C9 2214/4885
US-20060041129-A1 Enantiomers of selected fused heterocyclics and uses thereof CYP11B2, HCCS, CYP11B1 CYP1A2 15/4885TMIGD3 4717/4885CYP2C9 36/4885
US-20210107916-A1 HETEROAROMATIC NMDA RECEPTOR MODULATORS AND USES THEREOF GRIN2C, GRIN2A, GRIN1 CYP1A2 1963/4885TMIGD3 2089/4885CYP2C9 2214/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.