SCHEMBL5254366

SCHEMBL5254366

COc1cc(Nc2c(C#N)cnc3cc(NC(=O)CCl)c(N)cc23)cc(OC)c1OC

nearest known ligand 0.62

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SRC P12931 18/20 0.62
EGFR P00533 3/20 0.62
GAK O14976 1/20 0.62
ERBB2 P04626 2/20 0.51
ABL1 P00519 1/20 0.51
ABL2 P42684 1/20 0.51

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
SCHEMBL5251254 0.96 SRC (0.62) SRCEGFRGAKERBB2ABL1
SCHEMBL5254222 0.86 SRC (0.62) SRCEGFRGAKERBB2ABL1
SCHEMBL5252127 0.84 SRC (0.63) SRCEGFRGAKERBB2ABL1
SCHEMBL5251972 0.83 SRC (0.80) SRCEGFRGAKERBB2ABL1
SCHEMBL5252971 0.82 EGFR (0.63) SRCEGFRGAKERBB2
SCHEMBL5252265 0.81 SRC (0.63) SRCEGFRGAKERBB2ABL1
SCHEMBL27537981 0.75 SRC (0.73) SRCEGFRGAKERBB2
SCHEMBL6185084 0.74 SRC (0.83) SRCEGFRGAKERBB2ABL1
SCHEMBL6184514 0.73 SRC (1.00) SRCEGFRGAKERBB2ABL1
SCHEMBL5251910 0.72 SRC (0.67) SRCEGFRGAKABL1ABL2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1242382-B1 TRICYCLIC PROTEIN KINASE INHIBITORS WYETH CORP (US) 2007-02-07 EP disclosed
US-20060247217-A1 Tricyclic protein kinase inhibitors BERGER DAN M 2006-11-02 US disclosed
US-7105531-B2 Tricyclic protein kinase inhibitors WYETH (US) 2006-09-12 US disclosed
US-20040110762-A1 Tricyclic protein kinase inhibitors WYETH 2004-06-10 US disclosed
US-6638929-B2 Compounds containing nicotinonitrile rings; anticarcinogenic and -tumor agents; polycystic kidney disease and colonic polyps; antiproliferative agents; angiogenesis inhibitors; restenosis; atherosclerosis; angiofibromas; hemangiomas; WYETH 2003-10-28 US disclosed
EP-1242382-A1 TRICYCLIC PROTEIN KINASE INHIBITORS Wyeth (US) 2002-09-25 EP disclosed
US-20010051620-A1 Tricyclic protein kinase inhibitors AMERICAN HOME PRODUCTS CORPORATION (US) 2001-12-13 US disclosed
WO-2001047892-A1 TRICYCLIC PROTEIN KINASE INHIBITORS WYETH (US) 2001-07-05 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-20040110762-A1 Tricyclic protein kinase inhibitors CDK1, CDKN1A, CDK2 SRC 104/4885EGFR 172/4885GAK 107/4885
US-20060247217-A1 Tricyclic protein kinase inhibitors CDK1, CDKN1A, CDK2 SRC 117/4885EGFR 173/4885GAK 111/4885
US-20010051620-A1 Tricyclic protein kinase inhibitors CDK1, CHEK1, ABL1 SRC 134/4885EGFR 337/4885GAK 67/4885

“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.