SCHEMBL4520550

SCHEMBL4520550

CCOC(=O)c1sc2nc(Cc3cccc(C(F)(F)F)c3)nc(Cl)c2c1C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.53
KDM4E B2RXH2 6/20 0.53
MAPT P10636 4/20 0.52
HPGD P15428 3/20 0.52
TP53 P04637 1/20 0.51
KMT2A Q03164 9/20 0.50
MEN1 O00255 7/20 0.50
NPSR1 Q6W5P4 4/20 0.46
LMNA P02545 2/20 0.46
KCNH2 Q12809 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
STAT3 P40763 1/20 0.45
CYP1A2 P05177 2/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
HSP90AA1 P07900 1/20 0.44
CRHBP P24387 1/20 0.44
CRHR2 Q13324 1/20 0.44
CYP3A4 P08684 1/20 0.43

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
SCHEMBL4510264 0.88 ALDH1A1 (0.57) ALDH1A1KDM4EMAPTHPGDKMT2A
SCHEMBL27726590 0.88 NPSR1 (0.50) ALDH1A1KMT2AMEN1NPSR1SMN1; SMN2
SCHEMBL4514789 0.86 ALDH1A1 (0.55) ALDH1A1KDM4EMAPTHPGDKMT2A
SCHEMBL4531480 0.86 ALDH1A1 (0.61) ALDH1A1KDM4EMAPTHPGDKMT2A
SCHEMBL4512178 0.83 KDM4E (0.58) ALDH1A1KDM4EMAPTHPGDKMT2A
SCHEMBL4524904 0.82 KDM4E (0.55) ALDH1A1KDM4EMAPTHPGDKMT2A
SCHEMBL4524427 0.82 TP53 (0.70) ALDH1A1KDM4EMAPTHPGDTP53
SCHEMBL4520410 0.81 KMT2A (0.66) ALDH1A1KDM4EMAPTHPGDTP53
SCHEMBL4531402 0.79 KDM4E (0.58) ALDH1A1KDM4EMAPTHPGDKMT2A
SCHEMBL4506050 0.77 ALDH1A1 (0.58) ALDH1A1KDM4EMAPTHPGDKMT2A

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
EP-1908765-B1 THIENOPYRIMIDINE DERIVATIVE ASKA PHARM CO LTD (JP) 2014-10-22 EP disclosed
US-8377944-B2 Thienopyrimidine derivatives ASKA PHARMACEUTICAL CO., LTD. (JP) 2013-02-19 US disclosed
US-20130023546-A1 THIENOPYRIMIDINE DERIVATIVES GOTANDA KOTARO (JP) 2013-01-24 US disclosed
US-8293754-B2 Thienopyrimidine derivatives ASKA PHARMACEUTICAL CO., LTD. (JP) 2012-10-23 US disclosed
US-20090203703-A1 Thienopyrimidine Derivatives ASKA PHARMACEUTICAL CO., LTD. (JP) 2009-08-13 US disclosed
EP-1908765-A1 THIENOPYRIMIDINE DERIVATIVE ASKA Pharmaceutical Co., Ltd. (JP) 2008-04-09 EP 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 (2 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-20130023546-A1 THIENOPYRIMIDINE DERIVATIVES PDE9A, BPHL, THOP1 ALDH1A1 2303/4885KDM4E 2859/4885MAPT 1619/4885
US-20090203703-A1 Thienopyrimidine Derivatives PDE9A, BPHL, THOP1 ALDH1A1 2303/4885KDM4E 2859/4885MAPT 1619/4885

“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.