SCHEMBL5432011

SCHEMBL5432011

Cc1nc(Cl)c2cc(C)sc2n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.37
KDM4E B2RXH2 4/20 0.36
ALDH1A1 P00352 3/20 0.36
MAPK1 P28482 2/20 0.34
CNR2 P34972 3/20 0.33
CNR1 P21554 2/20 0.33
MEN1 O00255 1/20 0.33
POLB P06746 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MRGPRX1 Q96LB2 1/20 0.33
SELE P16581 1/20 0.33
VCAM1 P19320 1/20 0.33
LMNA P02545 1/20 0.32
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32
HSD17B10 Q99714 1/20 0.32
FGFR1 P11362 1/20 0.32
HTR6 P50406 1/20 0.32
CYP2D6 P10635 1/20 0.31

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
SCHEMBL16659862 0.84 CNR2 (0.33) KDM4EALDH1A1MAPK1CNR2CNR1
SCHEMBL1969445 0.84 KDM4E (0.36) MAPTKDM4EALDH1A1MAPK1MEN1
SCHEMBL25457001 0.81 KDM4E (0.31) KDM4EALDH1A1MAPK1CNR2CNR1
SCHEMBL16653494 0.81 EGFR (0.33) MAPTKDM4EALDH1A1MAPK1CNR2
SCHEMBL20668114 0.79 KDM4E (0.37) MAPTKDM4EALDH1A1MAPK1CNR2
SCHEMBL20668056 0.78 SELE (0.39) MAPTKDM4EALDH1A1MEN1KMT2A
SCHEMBL20668039 0.78 KDM4E (0.35) MAPTKDM4EALDH1A1
SCHEMBL31045096 0.78 CYP1A2 (0.35) MAPTKDM4EALDH1A1MEN1KMT2A
SCHEMBL31044944 0.78 LMNA (0.33) MAPTKDM4EALDH1A1MEN1KMT2A
SCHEMBL31044871 0.78 ABCB1 (0.36) MAPTKDM4EALDH1A1MEN1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220117968-A1 THIENO[2,3-D)PYRIMIDINES AND BENZOFURO(3,2-D)PYRIMIDINES AS ANTIMICROBIAL AGENTS SAINT LOUIS UNIVERSITY 2022-04-21 US disclosed
US-20220117968-A1 THIENO[2,3-D)PYRIMIDINES AND BENZOFURO(3,2-D)PYRIMIDINES AS ANTIMICROBIAL AGENTS SAINT LOUIS UNIVERSITY 2022-04-21 US disclosed
WO-2019018359-A1 THIENO[2,3-D)PYRIMIDINES AND BENZOFURO(3,2-D)PYRIMIDINES AS ANTIMICROBIAL AGENTS SAINT LOUIS UNIVERSITY (US) 2019-01-24 WO disclosed
WO-2019018359-A1 THIENO[2,3-D)PYRIMIDINES AND BENZOFURO(3,2-D)PYRIMIDINES AS ANTIMICROBIAL AGENTS SAINT LOUIS UNIVERSITY (US) 2019-01-24 WO disclosed
US-20070275984-A1 Novel Thieno-Pyridine and Thieno-Pyrimidine Derivatives and Their Use as Positive Allosteric Modulators of Mglur2-Receptors JANSSEN PHARMACEUTICA N.V. (BE) 2007-11-29 US disclosed
EP-1799687-A1 NOVEL THIENO-PYRIDINE AND THIENO-PYRIMIDINE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2-RECEPTORS JANSSEN PHARMACEUTICA N.V. (BE) 2007-06-27 EP disclosed
WO-2006030031-A1 NOVEL THIENO-PYRIDINE AND THIENO-PYRIMIDINE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2-RECEPTORS JANSSEN PHARMACEUTICA N.V. (BE) 2006-03-23 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-20220117968-A1 THIENO[2,3-D)PYRIMIDINES AND BENZOFURO(3,2-D)PYRIMIDINES AS ANTIMICROBIAL AGENTS TYMS, DPYD, UMPS MAPT 2674/4885KDM4E 2186/4885ALDH1A1 924/4885
US-20070275984-A1 Novel Thieno-Pyridine and Thieno-Pyrimidine Derivatives and Their Use as Positive Allosteric Modulators of Mglur2-Receptors GRM2, GRIA2, GRM1 MAPT 1442/4885KDM4E 1994/4885ALDH1A1 3149/4885

“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.