SCHEMBL714646

SCHEMBL714646

Cc1nnc(C)n1C1CCNCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 2/20 0.40
JAK1 P23458 1/20 0.40
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
PKM P14618 1/20 0.36
ALOX15 P16050 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
HTR2C P28335 2/20 0.35
TP53 P04637 1/20 0.34
CHRNB2 P17787 1/20 0.33
CHRNA4 P43681 1/20 0.33
BRD4 O60885 1/20 0.33
NSD3 Q9BZ95 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRB2 P47870 1/20 0.33
CCNC P24863 1/20 0.33
CDK8 P49336 1/20 0.33
GAA P10253 1/20 0.32

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
Ammonia Solution, Strong SCHEMBL1763973 0.98 JAK2 (0.39) JAK2JAK1MEN1KMT2AALDH1A1
SCHEMBL3600694 0.83 CCR5 (0.40)
SCHEMBL17856438 0.83 GAA (0.36) ALDH1A1MAPTALOX15TDP1GAA
SCHEMBL3594511 0.82 DPP4 (0.39) JAK2JAK1HTR2CTP53BRD4
SCHEMBL16447914 0.81 MEN1 (0.45) JAK2JAK1MEN1KMT2AHTR2C
SCHEMBL3607799 0.80 JAK2 (0.33) JAK2JAK1TP53BRD4CCR3
SCHEMBL5634958 0.79 NSD3 (0.46) JAK2JAK1KMT2AHTR2CCHRNB2
SCHEMBL20682653 0.78 GAA (0.44) JAK2JAK1MEN1KMT2AALDH1A1
SCHEMBL5634461 0.75 CCR5 (0.48) HTR2CTP53BRD4NSD3GABRA1
SCHEMBL5203169 0.73 MAPT (0.46) JAK2JAK1MEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11840528-B2 Isoxazolyl ether derivatives as GABAA α5 PAM HOFFMANN-LA ROCHE INC. (US) 2023-12-12 US disclosed
EP-3807269-A1 NEW ISOXAZOLYL ETHER DERIVATIVES AS GABA A ALPHA5 PAM F. Hoffmann-La Roche AG (CH) 2021-04-21 EP disclosed
US-20210094945-A1 NEW ISOXAZOLYL ETHER DERIVATIVES AS GABA A ALPHA5 PAM HOFFMANN-LA ROCHE INC. (US) 2021-04-01 US disclosed
WO-2019238633-A1 NEW ISOXAZOLYL ETHER DERIVATIVES AS GABA A ALPHA5 PAM F. HOFFMANN-LA ROCHE AG (CH) 2019-12-19 WO disclosed
US-20190084981-A1 Bromodomain Inhibitors ABBVIE INC (US) 2019-03-21 US disclosed
US-10131657-B2 Bromodomain inhibitors ABBVIE INC. (US) 2018-11-20 US disclosed
US-9957263-B2 Bromodomain inhibitors ABBVIE INC. (US) 2018-05-01 US disclosed
US-20160272630-A1 Bromodomain Inhibitors ABBVIE INC. (US) 2016-09-22 US disclosed
US-20160185769-A1 Bromodomain Inhibitors ABBVIE INC. (US) 2016-06-30 US disclosed
EP-3013827-A1 BROMODOMAIN INHIBITORS AbbVie Inc. (US) 2016-05-04 EP disclosed
US-20110150864-A1 SUBSTITUTED AMINOTHIAZOLONE INDAZOLES AS ESTROGEN RELATED RECEPTOR-ALPHA MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2011-06-23 US disclosed
WO-2011075565-A1 SUBSTITUTED AMINOTHIAZOLONE INDAZOLES AS ESTROGEN RELATED RECEPTOR-Aα MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2011-06-23 WO disclosed
US-20100256126-A1 PIPERIDINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS HOFFMANN-LA ROCHE, INC. 2010-10-07 US disclosed
US-7294636-B2 Chemical compounds ASTRAZENECA AB (SE) 2007-11-13 US disclosed
US-7294636-B2 Chemical compounds ASTRAZENECA AB (SE) 2007-11-13 US disclosed
US-20070015788-A1 N-(3-Aryl-3-substitutedphenylpropyl) piperidines or 8-azabicyclo[3.2.1]octanes that are additionally substituted with an optionally fused 5-member N-heterocycle; the compounds are modulators of CCR5 receptor activity and are used in treating diseases such as rheumatoid arthritis ASTRAZENECA AB (SE) 2007-01-18 US disclosed
US-20070015788-A1 N-(3-Aryl-3-substitutedphenylpropyl) piperidines or 8-azabicyclo[3.2.1]octanes that are additionally substituted with an optionally fused 5-member N-heterocycle; the compounds are modulators of CCR5 receptor activity and are used in treating diseases such as rheumatoid arthritis ASTRAZENECA AB (SE) 2007-01-18 US disclosed
CN-1784393-A Chemical compounds ASTRAZENECA AB (SE) 2006-06-07 CN disclosed
EP-1625120-A1 CHEMICAL COMPOUNDS AstraZeneca AB (SE) 2006-02-15 EP disclosed
WO-2004099178-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2004-11-18 WO 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 (9 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-11840528-B2 Isoxazolyl ether derivatives as GABAA α5 PAM GABRA5, GABRA2, GABRB2 JAK2 1077/4885JAK1 2659/4885MEN1 3172/4885
US-20070015788-A1 N-(3-Aryl-3-substitutedphenylpropyl) piperidines or 8-azabicyclo[3.2.1]octanes that are additionally substituted with an optionally fused 5-member N-heterocycle; the compounds are modulators of CCR5 receptor activity and are used in treating diseases such as rheumatoid arthritis CCR5, CCR2, CX3CR1 JAK2 566/4885JAK1 1372/4885MEN1 4834/4885
US-20210094945-A1 NEW ISOXAZOLYL ETHER DERIVATIVES AS GABA A ALPHA5 PAM GABRA5, GABRB2, GABRB1 JAK2 1405/4885JAK1 2250/4885MEN1 3432/4885
US-20190084981-A1 Bromodomain Inhibitors BRD4, BRD1, BRD3 JAK2 260/4885JAK1 151/4885MEN1 524/4885
US-10131657-B2 Bromodomain inhibitors BRD1, BRD4, BRD3 JAK2 383/4885JAK1 188/4885MEN1 592/4885
US-20160272630-A1 Bromodomain Inhibitors BRD4, BRDT, EP300 JAK2 864/4885JAK1 1515/4885MEN1 2984/4885
US-20100256126-A1 PIPERIDINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS HTR3A, OPRL1, OPRK1 JAK2 1150/4885JAK1 1873/4885MEN1 4869/4885
US-20160185769-A1 Bromodomain Inhibitors BRD1, BRD4, BRD3 JAK2 383/4885JAK1 188/4885MEN1 592/4885
US-20110150864-A1 SUBSTITUTED AMINOTHIAZOLONE INDAZOLES AS ESTROGEN RELATED RECEPTOR-ALPHA MODULATORS ESR2, ESRRA, IGF1R JAK2 224/4885JAK1 617/4885MEN1 2751/4885

“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.