SCHEMBL1899203

SCHEMBL1899203

CCN1CCN(c2cccc(-c3sc4c(N)nc(N)nc4c3-c3cnc4ccccc4c3)c2)CC1

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PTK2 Q05397 1/20 0.44
DHFR P00374 17/20 0.42
ADORA2A P29274 1/20 0.40
ADORA1 P30542 1/20 0.40
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL1900160 0.92 PTK2 (0.49) PTK2DHFRADORA2AADORA1
SCHEMBL1901156 0.87 PTK2 (0.41) PTK2DHFRADORA2AADORA1
SCHEMBL1898601 0.79 PIK3CA (0.43) DHFRADORA2AADORA1
SCHEMBL1898605 0.74 ATR (0.43)
SCHEMBL1900162 0.71 PTK2 (0.61) PTK2ADORA2AADORA1
SCHEMBL12676073 0.71 PTK2 (0.65) PTK2
SCHEMBL12675484 0.68 PTK2 (0.75) PTK2
SCHEMBL27632977 0.65 ACHE (0.64) PTK2ALDH1A1
SCHEMBL1359352 0.64 HEXA (0.62) DHFRALDH1A1
SCHEMBL12675931 0.63 PTK2 (0.61) PTK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130012703-A1 2,4,7-SUBSTITUTED THIENO[3,2-D]PYRIMIDINE COMPOUNDS AS PROTEIN KINASE INHIBITORS KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2013-01-10 US claimed
WO-2011062372-A2 2, 4, 7 -SUBSTITUTED THIENO [3, 2 -D] PYRIMIDINE COMPOUNDS AS PROTEIN KINASE INHIBITORS KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2011-05-26 WO claimed
US-9422307-B2 2,4,7-substituted thieno[3,2-d]pyrimidine compounds as protein kinase inhibitors KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2016-08-23 US disclosed
US-20130012703-A1 2,4,7-SUBSTITUTED THIENO[3,2-D]PYRIMIDINE COMPOUNDS AS PROTEIN KINASE INHIBITORS KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2013-01-10 US disclosed
WO-2011062372-A2 2, 4, 7 -SUBSTITUTED THIENO [3, 2 -D] PYRIMIDINE COMPOUNDS AS PROTEIN KINASE INHIBITORS KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2011-05-26 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 (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-20130012703-A1 2,4,7-SUBSTITUTED THIENO[3,2-D]PYRIMIDINE COMPOUNDS AS PROTEIN KINASE INHIBITORS CDK2, TK1, MAP4K2 PTK2 241/4885DHFR 1123/4885ADORA2A 1204/4885

“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.