SCHEMBL1896587

SCHEMBL1896587

C=Cc1csc2c(NCc3ccccc3)nc(Cl)nc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 5/20 0.49
PDE5A O76074 1/20 0.49
APP P05067 1/20 0.49
CDK1 P06493 2/20 0.44
PDE4A P27815 5/20 0.41
PDE4B Q07343 5/20 0.41
PDE4C Q08493 5/20 0.41
PDE4D Q08499 5/20 0.41
PDE3B Q13370 2/20 0.41
PDE3A Q14432 2/20 0.41
PRKCI P41743 1/20 0.39
RAD52 P43351 1/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
PKM P14618 1/20 0.38
UBE2N P61088 1/20 0.38
KMT2A Q03164 1/20 0.38
NPSR1 Q6W5P4 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
SCHEMBL1895629 0.83 PDE5A (0.52) ESR1PDE5AAPPCDK1PDE4A
SCHEMBL7678980 0.82 PDE5A (0.51) ESR1PDE5AAPPCDK1PDE4A
SCHEMBL31570054 0.81 KMT2A (0.54) KDM4EALDH1A1LMNAMAPTPKM
SCHEMBL1897657 0.79 ESR1 (0.48) ESR1PDE5AAPPCDK1PDE4A
Formic Acid SCHEMBL31570068 0.77 KMT2A (0.49) KDM4EALDH1A1LMNAMAPTPKM
SCHEMBL7939004 0.76 APP (0.68) ESR1PDE5AAPPCDK1PDE4A
SCHEMBL1898998 0.76 EGFR (0.38) KDM4EMAPTKMT2A
SCHEMBL1898995 0.76 EGFR (0.38) KDM4EMAPTKMT2A
SCHEMBL7681226 0.74 HTR2C (0.46) ESR1PRKCIKDM4EALDH1A1LMNA
SCHEMBL12675944 0.74 LMNA (0.58) KDM4EALDH1A1LMNAKMT2A

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
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-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-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
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
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
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 ESR1 4822/4885PDE5A 1909/4885APP 3241/4885

“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.