SCHEMBL534640

SCHEMBL534640

Cc1nc2c(N)cccc2s1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.52
TDP1 Q9NUW8 3/20 0.43
CYP3A4 P08684 2/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
PDPK1 O15530 1/20 0.43
LMNA P02545 1/20 0.43
PDE10A Q9Y233 1/20 0.43
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
KDM4E B2RXH2 3/20 0.42
TLR8 Q9NR97 1/20 0.41
TLR7 Q9NYK1 1/20 0.41
MAPT P10636 3/20 0.41
MEN1 O00255 1/20 0.41
GAA P10253 1/20 0.41
KMT2A Q03164 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
TSHR P16473 1/20 0.39
PIK3CA P42336 1/20 0.39
PARP1 P09874 1/20 0.39

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
SCHEMBL906903 0.84 SMN1; SMN2 (0.50) ALDH1A1TDP1CYP3A4SMN1; SMN2PDPK1
SCHEMBL1748098 0.79 ALDH1A1 (0.66) ALDH1A1TDP1CYP3A4SMN1; SMN2LMNA
SCHEMBL969167 0.79 ALDH1A1 (0.66) ALDH1A1TDP1CYP3A4SMN1; SMN2PDPK1
SCHEMBL27849608 0.78 ALDH1A1 (0.65) ALDH1A1TDP1CYP3A4SMN1; SMN2LMNA
Hydrochloric Acid SCHEMBL28787382 0.78 ALDH1A1 (0.63) ALDH1A1TDP1CYP3A4SMN1; SMN2PDPK1
Iodide SCHEMBL1770191 0.78 ALDH1A1 (0.63) ALDH1A1TDP1CYP3A4SMN1; SMN2LMNA
Ammonia Solution, Strong SCHEMBL26679975 0.78 ALDH1A1 (0.63) ALDH1A1TDP1CYP3A4SMN1; SMN2LMNA
SCHEMBL10204224 0.77 ALDH1A1 (0.41) ALDH1A1TDP1CYP3A4SMN1; SMN2PDPK1
SCHEMBL15893393 0.76 NPC1 (0.46) ALDH1A1SMN1; SMN2LMNANPC1RAB9A
SCHEMBL28309940 0.76 NPC1 (0.46) ALDH1A1CYP3A4SMN1; SMN2NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102365337-A Water based non-chromated primers for structural bonding applications CYTEC TECH CORP 2012-02-29 CN claimed
CN-113166084-B Indane derivatives for the treatment of bacterial infections 安塔比奥公司 2024-06-04 CN disclosed
CN-113166085-B Indane derivatives for the treatment of bacterial infections 安塔比奥公司 2024-04-09 CN disclosed
CN-113166085-A Indane derivatives for the treatment of bacterial infections 安塔比奥公司 2021-07-23 CN disclosed
CN-113166084-A Indane derivatives for the treatment of bacterial infections 安塔比奥公司 2021-07-23 CN disclosed
US-10745365-B2 Luminogenic and fluorogenic compounds and methods to detect molecules or conditions PROMEGA CORPORATION (US) 2020-08-18 US disclosed
US-10240048-B2 Corrosion-inhibiting microgels and non-chromated primer compositions incorporating the same CYTEC INDUSTRIES INC. (US) 2019-03-26 US disclosed
US-20190031629-A1 LUMINOGENIC AND FLUOROGENIC COMPOUNDS AND METHODS TO DETECT MOLECULES OR CONDITIONS JPMORGAN CHASE BANK, N.A., AS COLLATERAL AGENT 2019-01-31 US disclosed
US-10077244-B2 Luminogenic and fluorogenic compounds and methods to detect molecules or conditions PROMEGA CORPORATION (US) 2018-09-18 US disclosed
EP-2938682-B1 CORROSION-INHIBITING MICROGELS AND NON-CHROMATED PRIMER COMPOSITIONS INCORPORATING THE SAME CYTEC IND INC (US) 2017-05-31 EP disclosed
WO-2010021686-A1 LUMINOGENIC COMPOUNDS AND METHODS TO DETECT CYTOCHROME P450 3A ENZYMES PROMEGA CORPORATION (US) 2010-02-25 WO disclosed
EP-2021316-A1 INHIBITORS OF POLO-LIKE KINASES Abbott Laboratories (US) 2009-02-11 EP disclosed
US-20080299593-A1 Luminogenic and fluorogenic compounds and methods to detect molecules or conditions PROMEGA CORPORATION (US) 2008-12-04 US disclosed
US-20080045536-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2008-02-21 US disclosed
US-20080045536-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2008-02-21 US disclosed
WO-2007140233-A1 INHIBITORS OF POLO-LIKE KINASES ABBOTT LABORATORIES (US) 2007-12-06 WO disclosed
WO-2007038314-A2 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-04-05 WO disclosed
US-20070078136-A1 Fused heterocyclic compounds useful as kinase modulators BRISTOL-MYERS SQUIBB COMPANY 2007-04-05 US disclosed
US-20070078136-A1 Fused heterocyclic compounds useful as kinase modulators BRISTOL-MYERS SQUIBB COMPANY 2007-04-05 US disclosed
US-20070015790-A1 Luminogenic and fluorogenic compounds and methods to detect molecules or conditions JPMORGAN CHASE BANK, N.A., AS COLLATERAL AGENT 2007-01-18 US 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 (8 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-20070078136-A1 Fused heterocyclic compounds useful as kinase modulators MAP3K2, MAP3K3, MAP4K2 ALDH1A1 3349/4885TDP1 3932/4885CYP3A4 1733/4885
US-10745365-B2 Luminogenic and fluorogenic compounds and methods to detect molecules or conditions GLB1, NOD1, PYCARD ALDH1A1 1737/4885TDP1 2225/4885CYP3A4 850/4885
US-10077244-B2 Luminogenic and fluorogenic compounds and methods to detect molecules or conditions GLB1, NOD1, PYCARD ALDH1A1 1746/4885TDP1 2291/4885CYP3A4 831/4885
US-20080299593-A1 Luminogenic and fluorogenic compounds and methods to detect molecules or conditions GLB1, NOD1, PYCARD ALDH1A1 1737/4885TDP1 2225/4885CYP3A4 850/4885
US-20080045536-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS MAP3K3, MAP3K2, MAP4K3 ALDH1A1 4291/4885TDP1 3883/4885CYP3A4 2545/4885
US-10240048-B2 Corrosion-inhibiting microgels and non-chromated primer compositions incorporating the same PCNA, MCM5, MCM3 ALDH1A1 1923/4885TDP1 1894/4885CYP3A4 1745/4885
US-20190031629-A1 LUMINOGENIC AND FLUOROGENIC COMPOUNDS AND METHODS TO DETECT MOLECULES OR CONDITIONS GLB1, NOD1, PYCARD ALDH1A1 1737/4885TDP1 2225/4885CYP3A4 850/4885
US-20070015790-A1 Luminogenic and fluorogenic compounds and methods to detect molecules or conditions GLB1, NOD1, PYCARD ALDH1A1 1974/4885TDP1 1947/4885CYP3A4 1743/4885

“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.