SCHEMBL5560155

SCHEMBL5560155

Cn1c(Br)cc2c(Cl)ncnc21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.35
ADORA2B P29275 1/20 0.35
ADORA1 P30542 1/20 0.35
SELE P16581 1/20 0.34
VCAM1 P19320 1/20 0.34
SLC22A12 Q96S37 1/20 0.33
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
ALDH1A1 P00352 2/20 0.32
SRC P12931 2/20 0.31
EGFR P00533 2/20 0.31
ADK P55263 1/20 0.31
PIK3CD O00329 1/20 0.31
ABL1 P00519 1/20 0.31
HCK P08631 1/20 0.31
KDR P35968 1/20 0.31
PIK3CA P42336 1/20 0.31
PIK3CB P42338 1/20 0.31

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
SCHEMBL23326744 0.80 HSD17B10 (0.33) ADORA2AADORA2BADORA1SELEVCAM1
SCHEMBL29861403 0.80 HSD17B10 (0.33) ADORA2AADORA2BADORA1SELEVCAM1
SCHEMBL12410481 0.79 SELE (0.35) SELEVCAM1SLC22A12PDE4APDE4B
SCHEMBL17148436 0.78 SELE (0.34) SELEVCAM1SLC22A12PDE4APDE4B
SCHEMBL21273016 0.75 MAPT (0.48) ADORA2AADORA1PDE4APDE4BPDE4C
SCHEMBL3705661 0.74 PDE2A (0.33) ADORA2AADORA1
SCHEMBL22658512 0.74 SLC22A12 (0.34) SELEVCAM1SLC22A12PDE4APDE4B
SCHEMBL25456980 0.73 ADORA2A (0.31) ADORA2AADORA1ALDH1A1MAPTHTT
SCHEMBL23326642 0.73 EGFR (0.35) ADORA2AADORA2BADORA1SELEVCAM1
SCHEMBL24672007 0.73 SLC22A12 (0.39) SELEVCAM1SLC22A12ALDH1A1SRC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230148450-A9 BICYCLIC HETEROARYL COMPOUNDS AND USES THEREOF Revolution Medicines, Inc. 2023-05-11 US disclosed
CN-113767100-A Bicyclic heteroaryl compounds and uses thereof 锐新医药公司 2021-12-07 CN disclosed
US-7968536-B2 Heterocyclic compounds useful as RAF kinase inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-06-28 US disclosed
US-7968536-B2 Heterocyclic compounds useful as RAF kinase inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-06-28 US disclosed
WO-2009006404-A2 HETEROCYCLIC COMPOUNDS USEFUL AS RAF KINASE INHIBITORS SUNESIS PHARMACEUTICALS, INC. (US) 2009-01-08 WO disclosed
US-20090005359-A1 Heterocyclic Compounds Useful as RAF Kinase Inhibitors SUNESIS PHARMACEUTICALS, INC (US) 2009-01-01 US disclosed
US-20090005359-A1 Heterocyclic Compounds Useful as RAF Kinase Inhibitors SUNESIS PHARMACEUTICALS, INC (US) 2009-01-01 US disclosed
US-7253166-B2 6-phenyl-7H-pyrrolo[2,3-d]pyrimidine compounds that induce neuronal differentiation in embryonic stem cells IRM LLC (BM) 2007-08-07 US disclosed
US-7253166-B2 6-phenyl-7H-pyrrolo[2,3-d]pyrimidine compounds that induce neuronal differentiation in embryonic stem cells IRM LLC (BM) 2007-08-07 US disclosed
US-7253166-B2 6-phenyl-7H-pyrrolo[2,3-d]pyrimidine compounds that induce neuronal differentiation in embryonic stem cells IRM LLC (BM) 2007-08-07 US disclosed
US-20050038049-A1 Compounds that induce neuronal differentiation in embryonic stem cells THE SCRIPPS RESEARCH INSTITUTE (US) 2005-02-17 US disclosed
US-20050038049-A1 Compounds that induce neuronal differentiation in embryonic stem cells THE SCRIPPS RESEARCH INSTITUTE (US) 2005-02-17 US disclosed
US-20050038049-A1 Compounds that induce neuronal differentiation in embryonic stem cells THE SCRIPPS RESEARCH INSTITUTE (US) 2005-02-17 US disclosed
WO-2004093812-A2 COMPOUNDS THAT INDUCE NEURONAL DIFFERENTIATION IN EMBRYONIC STEM CELLS IRM LLC (BM) 2004-11-04 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 (3 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-20050038049-A1 Compounds that induce neuronal differentiation in embryonic stem cells FER, ERBB3, FLT3 ADORA2A 3586/4885ADORA2B 3841/4885ADORA1 3900/4885
US-20230148450-A9 BICYCLIC HETEROARYL COMPOUNDS AND USES THEREOF SOST, SOS1, SOS2 ADORA2A 1136/4885ADORA2B 1501/4885ADORA1 1911/4885
US-20090005359-A1 Heterocyclic Compounds Useful as RAF Kinase Inhibitors BRAF, RAF1, ARAF ADORA2A 3787/4885ADORA2B 4597/4885ADORA1 4506/4885

“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.