SCHEMBL4829320

SCHEMBL4829320

CS(=O)(=O)Nc1cccc(C2N=c3occc3=C(N)N2c2ccc(-c3cccc(F)c3)cc2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 1/20 0.39
▸ KDM4E B2RXH2 2/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ PKM P14618 1/20 0.37
▸ KIF11 P52732 1/20 0.37
▸ KDR P35968 1/20 0.35
▸ TEK Q02763 1/20 0.35
▸ KIT P10721 1/20 0.34
▸ LMNA P02545 4/20 0.34
▸ MEN1 O00255 3/20 0.34
▸ CYP1A2 P05177 3/20 0.34
▸ CYP3A4 P08684 3/20 0.34
▸ CYP2D6 P10635 3/20 0.34
▸ KMT2A Q03164 3/20 0.34
▸ TSHR P16473 2/20 0.34
▸ MAPK1 P28482 2/20 0.34
▸ CYP2C19 P33261 2/20 0.34
▸ HIF1A Q16665 2/20 0.34
▸ BRD4 O60885 1/20 0.34
▸ MAPT P10636 1/20 0.34

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
SCHEMBL4826501 0.84 KDR (0.40) KDM4EALDH1A1KDRTEKLMNA
SCHEMBL4829247 0.76 KDM1A (0.36) KDM1AFPR2
SCHEMBL4833856 0.75 KDM1A (0.38) KDM1AGRIA2
SCHEMBL4833050 0.73 ALDH1A1 (0.40) KDM4EALDH1A1PKMLMNAMEN1
SCHEMBL4833403 0.73 ALDH1A1 (0.40) KDM4EALDH1A1PKMLMNAMEN1
SCHEMBL4833477 0.73 KDM1A (0.35) KDM1AKDM4EALDH1A1MAPTHPGD
SCHEMBL4829323 0.72 KDM1A (0.42) KDM1AKDM4EALDH1A1PKMKIF11
SCHEMBL4833764 0.71 ABCB1 (0.39) KDM4EALDH1A1PKMMEN1KMT2A
SCHEMBL4833775 0.70 PTGS2 (0.35) KDM4EALDH1A1LMNAMEN1CYP1A2
SCHEMBL4830782 0.69 MEN1 (0.45) KDM4EALDH1A1PKMLMNAMEN1

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-20080287466-A1 4-AMINO-2,3-DISUBSTITUTED THIENO [2,3,D]PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS THEREOF ADAMS JERRY LEROY 2008-11-20 — — US disclosed
US-7427623-B2 4-Amino-2,3-disubstituted thieno[2,3-d]pyrimidines and pharmacetical compositions thereof SMITHKLINE BEECHAM CORPORATION (US) 2008-09-23 — — US disclosed
US-20050004142-A1 Chemical compounds SMITHKLINE BEECHAM CORPORATION 2005-01-06 — — US disclosed
EP-1425284-A2 FURO- AND THIENOPYRIMIDINE DERIVATIVES AS ANGIOGENESIS INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2004-06-09 — — EP disclosed
WO-2003022852-A2 FURO-AND THIENOPYRIMIDINE DERIVATIVES AS ANGIOGENESIS INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2003-03-20 — — 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 (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-20050004142-A1 Chemical compounds TIE1, KDR, TEK KDM1A 674/4885KDM4E 580/4885ALDH1A1 906/4885
US-20080287466-A1 4-AMINO-2,3-DISUBSTITUTED THIENO [2,3,D]PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS THEREOF TIE1, TEK, KDR KDM1A 523/4885KDM4E 202/4885ALDH1A1 1144/4885

“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.

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