SCHEMBL7819692

SCHEMBL7819692

Cc1nc2ncnn2c(Cl)c1C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.50
ALDH1A1 P00352 5/20 0.47
KDM4E B2RXH2 1/20 0.44
ENPP1 P22413 3/20 0.43
PAX2 Q02962 1/20 0.43
HSD17B10 Q99714 2/20 0.43
KMT2A Q03164 2/20 0.43
USP2 O75604 2/20 0.43
MEN1 O00255 1/20 0.43
LMNA P02545 1/20 0.43
TP53 P04637 1/20 0.43
ALOX15 P16050 1/20 0.43
MAPK1 P28482 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
POLB P06746 1/20 0.42
HTT P42858 2/20 0.41
NPC1 O15118 1/20 0.41
GALR3 O60755 1/20 0.41
CYP1A2 P05177 1/20 0.41

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
SCHEMBL5674713 0.85 ALDH1A1 (0.47) TSHRALDH1A1KDM4EENPP1HSD17B10
SCHEMBL8686955 0.85 ALDH1A1 (0.47) TSHRALDH1A1KDM4EENPP1HSD17B10
SCHEMBL20482747 0.81 ALDH1A1 (0.46) TSHRALDH1A1KDM4EENPP1HSD17B10
SCHEMBL7117782 0.81 ALDH1A1 (0.44) TSHRALDH1A1KDM4EENPP1HSD17B10
SCHEMBL353089 0.80 HSD17B10 (0.55) TSHRALDH1A1KDM4EENPP1PAX2
SCHEMBL5463475 0.79 ALDH1A1 (0.51) ALDH1A1KDM4EENPP1USP2HTT
SCHEMBL1646899 0.78 ALDH1A1 (0.50) TSHRALDH1A1ENPP1HSD17B10KMT2A
SCHEMBL10407277 0.77 TSHR (0.50) TSHRALDH1A1KDM4EENPP1PAX2
SCHEMBL10407276 0.77 TSHR (0.50) TSHRALDH1A1ENPP1PAX2HSD17B10
SCHEMBL22968432 0.77 TSHR (0.50) TSHRALDH1A1ENPP1PAX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10357481-B2 Substituted triazolo bicyclic compounds as PDE2 inhibitors MERCK SHARP & DOHME CORP. (US) 2019-07-23 US disclosed
US-20180169072-A1 SUBSTITUTED TRIAZOLO BICYCLIC COMPOUNDS AS PDE2 INHIBITORS MERCK SHARP & DOHME LLC 2018-06-21 US disclosed
EP-1149835-A1 FAT ACCUMULATION INHIBITORY AGENTS SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2001-10-31 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-20180169072-A1 SUBSTITUTED TRIAZOLO BICYCLIC COMPOUNDS AS PDE2 INHIBITORS PDE2A, PDE3A, PDE4D TSHR 1566/4885ALDH1A1 1376/4885KDM4E 2962/4885
US-10357481-B2 Substituted triazolo bicyclic compounds as PDE2 inhibitors PDE2A, PDE3A, PDE4D TSHR 1566/4885ALDH1A1 1376/4885KDM4E 2962/4885

“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.