SCHEMBL675099

SCHEMBL675099

CCCCCc1cc2c(nc1N)[nH]c1ccc(C=Cc3ccccc3)cc12

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 16/20 0.45
MAPKAPK2 P49137 1/20 0.38
IP6K1 Q92551 1/20 0.37
KDM4E B2RXH2 2/20 0.36
CYP3A4 P08684 2/20 0.36
HSD17B10 Q99714 2/20 0.36
CYP1A2 P05177 1/20 0.36
TSHR P16473 1/20 0.36
USP2 O75604 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GLA P06280 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
CASP1 P29466 1/20 0.35
CASP7 P55210 1/20 0.35

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
SCHEMBL675670 0.89 GHSR (0.40) TLR8
SCHEMBL676563 0.85 MAPKAPK2 (0.38) MAPKAPK2IP6K1KDM4ECYP3A4HSD17B10
SCHEMBL676202 0.84 TLR8 (0.48) TLR8KDM4ECYP3A4HSD17B10CYP1A2
SCHEMBL3725587 0.81 GABRP (0.40) MAPKAPK2IP6K1KDM4ECYP3A4HSD17B10
SCHEMBL3725585 0.81 GABRP (0.40) MAPKAPK2IP6K1KDM4ECYP3A4HSD17B10
SCHEMBL3728950 0.78 GABRP (0.39) MAPKAPK2IP6K1KDM4ECYP3A4HSD17B10
SCHEMBL3728948 0.78 GABRP (0.39) MAPKAPK2IP6K1KDM4ECYP3A4HSD17B10
SCHEMBL3727396 0.78 ALK (0.47) MAPKAPK2IP6K1KDM4ECYP3A4HSD17B10
SCHEMBL3727398 0.78 ALK (0.47) MAPKAPK2IP6K1KDM4ECYP3A4HSD17B10
SCHEMBL676276 0.78 MCHR1 (0.41) MAPKAPK2IP6K1KDM4ECYP3A4HSD17B10

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-8895744-B2 Alfa-carboline inhibitors of NPM-ALK, RET, and Bcr-Abl UNIVERSITA' DEGLI STUDI DI MILANO-BICOCCA (IT) 2014-11-25 US disclosed
US-20110281862-A1 ALFA-CARBOLINE INHIBITORS OF NPM-ALK, RET, AND BCR-ABL UNIVERSITA' DEGLI STUDI DI MILANO - BICOCCA (IT) 2011-11-17 US disclosed
EP-2161271-A1 Alpha-carboline inhibitors of NMP-ALK, RET, and Bcr-Abl Università Degli Studi Di Milano - Bicocca (IT) 2010-03-10 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 (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-20110281862-A1 ALFA-CARBOLINE INHIBITORS OF NPM-ALK, RET, AND BCR-ABL ALK, BCR, NPM1 TLR8 3806/4885MAPKAPK2 2823/4885IP6K1 3330/4885

“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.