SCHEMBL5253113

SCHEMBL5253113

N#Cc1cnc2cc3ccccc3cc2c1Nc1ccc(Oc2ccccc2)cc1

nearest known ligand 0.82

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 17/20 0.82
RAF1 P04049 10/20 0.76
SRC P12931 2/20 0.57
MAPK13 O15264 1/20 0.57
MAP3K8 P41279 1/20 0.57
MAPK12 P53778 1/20 0.57
MAPK11 Q15759 1/20 0.57
MAPK14 Q16539 1/20 0.57
MAPK3 P27361 1/20 0.56
MAPK1 P28482 1/20 0.56
EGFR P00533 2/20 0.54
ERBB2 P04626 2/20 0.54

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
SCHEMBL5251276 0.90 MAP2K1 (1.00) MAP2K1RAF1SRCMAPK3MAPK1
SCHEMBL5011206 0.90 MAP2K1 (0.67) MAP2K1RAF1SRCEGFRERBB2
SCHEMBL5254847 0.88 MAP2K1 (0.73) MAP2K1RAF1SRCMAPK13MAP3K8
SCHEMBL27707570 0.86 MAP2K1 (1.00) MAP2K1RAF1SRCMAPK13MAP3K8
SCHEMBL6382750 0.86 MAP2K1 (1.00) MAP2K1RAF1SRCMAPK3MAPK1
SCHEMBL5256236 0.85 MAP2K1 (0.77) MAP2K1RAF1SRCMAPK13MAP3K8
SCHEMBL4775969 0.85 MAP2K1 (0.71) MAP2K1RAF1SRCMAPK13MAP3K8
SCHEMBL15320481 0.85 MAP2K1 (0.77) MAP2K1RAF1SRCMAPK13MAP3K8
SCHEMBL6071665 0.85 MAP2K1 (0.77) MAP2K1RAF1SRCMAPK13MAP3K8
SCHEMBL22334734 0.85 MAP2K1 (0.71) MAP2K1RAF1MAPK3MAPK1EGFR

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 13 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 claimed
US-20060247217-A1 Tricyclic protein kinase inhibitors BERGER DAN M 2006-11-02 US claimed
US-20040110762-A1 Tricyclic protein kinase inhibitors WYETH 2004-06-10 US claimed
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 claimed
EP-1242382-A1 TRICYCLIC PROTEIN KINASE INHIBITORS Wyeth (US) 2002-09-25 EP claimed
US-20010051620-A1 Tricyclic protein kinase inhibitors AMERICAN HOME PRODUCTS CORPORATION (US) 2001-12-13 US claimed
WO-2001047892-A1 TRICYCLIC PROTEIN KINASE INHIBITORS WYETH (US) 2001-07-05 WO claimed
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
US-20010051620-A1 Tricyclic protein kinase inhibitors AMERICAN HOME PRODUCTS CORPORATION (US) 2001-12-13 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 (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 MAP2K1 278/4885RAF1 115/4885SRC 104/4885
US-20060247217-A1 Tricyclic protein kinase inhibitors CDK1, CDKN1A, CDK2 MAP2K1 266/4885RAF1 135/4885SRC 117/4885
US-20010051620-A1 Tricyclic protein kinase inhibitors CDK1, CHEK1, ABL1 MAP2K1 323/4885RAF1 115/4885SRC 134/4885

“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.