SCHEMBL676202

SCHEMBL676202

CCCCCc1cc2c(nc1N)[nH]c1ccc(-c3ccc(-c4ccccc4)cc3)cc12

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 14/20 0.48
JAK2 O60674 1/20 0.42
DHFR P00374 1/20 0.39
KDM4E B2RXH2 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
TSHR P16473 1/20 0.38
HSD17B10 Q99714 1/20 0.38
GSK3A P49840 1/20 0.38
GSK3B P49841 1/20 0.38

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
SCHEMBL674781 0.85 TLR8 (0.42) TLR8
SCHEMBL677179 0.84 DHFR (0.42) JAK2DHFRKDM4ECYP1A2CYP3A4
SCHEMBL675789 0.84 TLR8 (0.42) TLR8KDM4E
SCHEMBL675099 0.84 TLR8 (0.45) TLR8KDM4ECYP1A2CYP3A4TSHR
SCHEMBL3426131 0.81 ATP4A (0.39) TLR8
SCHEMBL675876 0.81 JAK2 (0.55) TLR8JAK2TSHR
SCHEMBL3722217 0.80 GABRP (0.42) KDM4ECYP1A2CYP3A4TSHRHSD17B10
SCHEMBL3730839 0.79 DRD3 (0.43) TLR8
SCHEMBL675732 0.77 KDM4E (0.43) TLR8JAK2DHFRKDM4ECYP1A2
SCHEMBL3733722 0.77 ALK (0.48)

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 3806/4885JAK2 201/4885DHFR 2059/4885

“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.