SCHEMBL1898601

SCHEMBL1898601

Nc1nc(N)c2sc(-c3ccc(N4CCOCC4)cc3)c(-c3cnc4ccccc4c3)c2n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 5/20 0.43
DHFR P00374 3/20 0.41
NPC1 O15118 2/20 0.40
MAPT P10636 2/20 0.40
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
KDM4E B2RXH2 1/20 0.40
GAA P10253 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
AKR1C3 P42330 1/20 0.40
IGF1R P08069 1/20 0.40
MTOR P42345 2/20 0.39
FYN P06241 1/20 0.39
JAK2 O60674 2/20 0.38
JAK1 P23458 2/20 0.38
TYK2 P29597 2/20 0.38
JAK3 P52333 2/20 0.38
ADK P55263 1/20 0.38
LCK P06239 1/20 0.38
KIT P10721 1/20 0.38

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
SCHEMBL1898605 0.91 ATR (0.43) PIK3CAADKATRATRIP
SCHEMBL1900160 0.88 PTK2 (0.49) PIK3CADHFRNPC1MAPTRAB9A
SCHEMBL1899203 0.79 PTK2 (0.44) DHFRADORA2AADORA1
SCHEMBL1901156 0.78 PTK2 (0.41) PIK3CADHFRNPC1RAB9ASMN1; SMN2
SCHEMBL12676074 0.70 PTK2 (0.57) PIK3CAMAPTIGF1RJAK2KDR
SCHEMBL2280216 0.68 AKR1C3 (0.73) DHFRNPC1MAPTRAB9ASMN1; SMN2
SCHEMBL3761263 0.67 NOS1 (0.74) PIK3CAMTORADKPIK3CDPIK3CG
SCHEMBL10327965 0.66 PIK3CA (0.74) PIK3CAMTORPIK3CD
SCHEMBL20741632 0.66 MAPK10 (0.57) PIK3CANPC1MAPTRAB9ASMN1; SMN2
SCHEMBL3748890 0.64 KDM4E (0.62) PIK3CANPC1MAPTRAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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 PIK3CA 77/4885DHFR 1123/4885NPC1 2644/4885

“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.