SCHEMBL3386989

SCHEMBL3386989

N#Cc1cc(Br)cc(-c2ccncc2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNC P24863 1/20 0.43
CDK8 P49336 1/20 0.43
PGR P06401 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
PKN1 Q16512 1/20 0.40
PKN2 Q16513 1/20 0.40
PIK3CD O00329 1/20 0.39
PIK3CA P42336 1/20 0.39
PIK3CB P42338 1/20 0.39
CYP17A1 P05093 1/20 0.37
CYP21A2 P08686 1/20 0.37
CYP11B1 P15538 1/20 0.37
GRM5 P41594 2/20 0.37
CYP11B2 P19099 1/20 0.37
CLK4 Q9HAZ1 1/20 0.37
CYP19A1 P11511 1/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
AURKA O14965 1/20 0.36

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
SCHEMBL3752557 0.81 TSHR (0.44) PGRCLK4CYP19A1
SCHEMBL25159882 0.80 CYP11B2 (0.60) LMNACYP17A1CYP11B1CYP11B2CYP19A1
SCHEMBL14884178 0.80 MAPT (0.58) LMNAMAPTCYP17A1CYP21A2CYP11B1
SCHEMBL17880388 0.80 MAPT (0.58) LMNAMAPTCYP17A1CYP21A2CYP11B1
SCHEMBL19062532 0.78 TTR (0.44) PGRGRM5CLK4MAOAMAOB
SCHEMBL22534520 0.76 ABCG2 (0.41) MAPTPKN1PKN2CYP11B2CYP3A4
SCHEMBL4201635 0.75 CYP2A6 (0.49) PGRMAOAMAOBCYP3A4CYP2C9
SCHEMBL25544463 0.75 MAPT (0.44) CCNCCDK8LMNAMAPTPKN1
SCHEMBL25543833 0.75 MAPT (0.44) CCNCCDK8LMNAMAPTPKN1
SCHEMBL22799216 0.74 MMP3 (0.52) PGRCYP11B2MAOAMAOB

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230149414-A1 COMPOUNDS AND USES THEREOF FOGHORN THERAPEUTICS INC. 2023-05-18 US disclosed
US-20230149414-A1 COMPOUNDS AND USES THEREOF FOGHORN THERAPEUTICS INC. 2023-05-18 US disclosed
US-20230149414-A1 COMPOUNDS AND USES THEREOF FOGHORN THERAPEUTICS INC. 2023-05-18 US disclosed
WO-2023061263-A1 SHP2 INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND USE THEREOF 北京泰德制药股份有限公司 2023-04-20 WO disclosed
CN-115484948-A Compound and use thereof 福宏治疗公司 2022-12-16 CN disclosed
EP-1858857-B1 AZABICYCLOALKANE DERIVATIVES USEFUL AS NICOTINIC ACETYLCHOLINE RECEPTOR AGONISTS LILLY CO ELI (US) 2010-12-08 EP disclosed
EP-1858857-B1 AZABICYCLOALKANE DERIVATIVES USEFUL AS NICOTINIC ACETYLCHOLINE RECEPTOR AGONISTS LILLY CO ELI (US) 2010-12-08 EP disclosed
US-20080261999-A1 Azabicycloalkane Derivatives Useful as Nicotinic Acetylcholine Receptor Agonists ELI LILLY AND COMPANY 2008-10-23 US disclosed
US-20080261999-A1 Azabicycloalkane Derivatives Useful as Nicotinic Acetylcholine Receptor Agonists ELI LILLY AND COMPANY 2008-10-23 US disclosed
US-20080261999-A1 Azabicycloalkane Derivatives Useful as Nicotinic Acetylcholine Receptor Agonists ELI LILLY AND COMPANY 2008-10-23 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 (2 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-20230149414-A1 COMPOUNDS AND USES THEREOF VHL, CLN6, TFEB CCNC 3907/4885CDK8 1753/4885PGR 2087/4885
US-20080261999-A1 Azabicycloalkane Derivatives Useful as Nicotinic Acetylcholine Receptor Agonists CHRNA1, CHRNA7, CHRNB1 CCNC 3653/4885CDK8 2377/4885PGR 2161/4885

“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.