SCHEMBL12090685

SCHEMBL12090685

CN1CCC(c2nc3cnccc3n2-c2cc(-c3cc(Cl)ccc3F)nc3ccccc23)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 5/20 0.44
▸ TGFBR1 P36897 5/20 0.44
▸ CYP3A4 P08684 4/20 0.44
▸ KCNH2 Q12809 2/20 0.37
▸ LATS1 O95835 3/20 0.37
▸ NOS3 P29474 1/20 0.37
▸ NOS1 P29475 1/20 0.37
▸ NOS2 P35228 1/20 0.37
▸ CCNT1 O60563 4/20 0.36
▸ CDK9 P50750 4/20 0.36
▸ METAP1 P53582 1/20 0.36
▸ ACVR1B P36896 1/20 0.36
▸ HTR2B P41595 1/20 0.36
▸ SLC6A3 Q01959 1/20 0.36
▸ SIGMAR1 Q99720 1/20 0.36
▸ MAP3K2 Q9Y2U5 1/20 0.36
▸ GLP1R P43220 1/20 0.36
▸ LATS2 Q9NRM7 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ SLC22A12 Q96S37 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
SCHEMBL12090682 0.82 CYP1A2 (0.48) CYP1A2TGFBR1CYP3A4LATS1ACVR1B
SCHEMBL1820552 0.78 CYP1A2 (0.44) CYP1A2TGFBR1CYP3A4KCNH2LATS1
SCHEMBL12090714 0.75 CYP1A2 (0.42) CYP1A2TGFBR1CYP3A4LATS1ACVR1B
SCHEMBL12090555 0.74 FGFR1 (0.45) CYP1A2TGFBR1CYP3A4LATS1ACVR1B
SCHEMBL12090422 0.73 TGFBR1 (0.72) CYP1A2TGFBR1CYP3A4ACVR1BHTR2B
SCHEMBL12090664 0.73 TGFBR1 (0.45) CYP1A2TGFBR1CYP3A4LATS1ACVR1B
SCHEMBL12090622 0.72 TGFBR1 (0.60) CYP1A2TGFBR1CYP3A4ACVR1BHTR2B
SCHEMBL12090684 0.71 TGFBR1 (0.48) TGFBR1CYP3A4ACVR1BACP1
SCHEMBL12090609 0.69 TGFBR1 (0.41) CYP1A2TGFBR1CYP3A4LATS1ACVR1B
SCHEMBL12090765 0.69 CYP1A2 (0.52) CYP1A2TGFBR1CYP3A4KCNH2METAP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8987301-B2 Heteroarylaminoquinolines as TGF-beta receptor kinase inhibitors MERCK PATENT GMBH (DE) 2015-03-24 — — US disclosed
US-8987301-B2 Heteroarylaminoquinolines as TGF-beta receptor kinase inhibitors MERCK PATENT GMBH (DE) 2015-03-24 — — US disclosed
US-20120225875-A1 HETEROARYLAMINOQUINOLINES AS TGF-BETA RECEPTOR KINASE INHIBITORS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-09-06 — — US disclosed
US-20120225875-A1 HETEROARYLAMINOQUINOLINES AS TGF-BETA RECEPTOR KINASE INHIBITORS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-09-06 — — 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 (1 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-20120225875-A1 HETEROARYLAMINOQUINOLINES AS TGF-BETA RECEPTOR KINASE INHIBITORS TGFBR1, TGFBR2, TGFB1 CYP1A2 1818/4885TGFBR1 1/4885CYP3A4 2031/4885

“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.

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