SCHEMBL676267

SCHEMBL676267

Clc1ccc2c(n1)[nH]c1ccc(CCC3CCCCC3)cc12

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TBK1 Q9UHD2 4/20 0.36
P2RX7 Q99572 1/20 0.35
SIRT2 Q8IXJ6 1/20 0.35
TERT O14746 2/20 0.34
DAO P14920 1/20 0.34
OPRL1 P41146 2/20 0.33
PDGFRB P09619 1/20 0.33
PDGFRA P16234 1/20 0.33
MAP2K7 O14733 1/20 0.33
UTS2R Q9UKP6 1/20 0.33
CEL P19835 1/20 0.33
OPRM1 P35372 1/20 0.32
OPRD1 P41143 1/20 0.32
OPRK1 P41145 1/20 0.32

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
SCHEMBL3400154 0.92 BCHE (0.39) TERT
SCHEMBL675701 0.81 OPRM1 (0.36) OPRL1PDGFRBPDGFRAUTS2ROPRM1
SCHEMBL674984 0.78 UTS2R (0.44) TBK1DAOOPRL1MAP2K7UTS2R
SCHEMBL676806 0.77 ADORA2A (0.44) SIRT2
SCHEMBL674810 0.75 HTR1A (0.42) TERTUTS2R
SCHEMBL674727 0.71 PIKFYVE (0.41) SIRT2PDGFRBPDGFRA
SCHEMBL27821853 0.70 SIRT2 (0.35) SIRT2
SCHEMBL27841174 0.70 KDM4E (0.40) SIRT2
SCHEMBL675502 0.68 RAB9A (0.47)
SCHEMBL3396582 0.67 PIKFYVE (0.38) PDGFRBPDGFRA

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 TBK1 227/4885P2RX7 4172/4885SIRT2 3810/4885

“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.