SCHEMBL677303

SCHEMBL677303

CCCCCNc1ccc2c(n1)[nH]c1ccccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 4/20 0.51
CA5A P35218 1/20 0.48
CYP3A4 P08684 2/20 0.46
CYP2D6 P10635 1/20 0.46
KCNH2 Q12809 1/20 0.46
BCHE P06276 1/20 0.46
TRPC3 Q13507 1/20 0.46
TRPC4 Q9UBN4 1/20 0.46
TRPC5 Q9UL62 1/20 0.46
TSHR P16473 3/20 0.44
HSD17B10 Q99714 2/20 0.44
KDM4E B2RXH2 2/20 0.44
CYP1A2 P05177 1/20 0.44
ELANE P08246 2/20 0.43
SMN1; SMN2 Q16637 4/20 0.42
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42
CNR2 P34972 1/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL28423492 0.74 GABRP (0.63) UTS2RCYP3A4CYP2D6KCNH2TSHR
Carbazole SCHEMBL27757289 0.73 ALDH1A1 (0.67) UTS2RCYP3A4CYP2D6KCNH2HSD17B10
SCHEMBL5477934 0.72 UTS2R (0.53) UTS2RCYP3A4CYP2D6KCNH2TSHR
SCHEMBL12282010 0.72 APP (0.65) UTS2RCYP3A4CYP2D6KCNH2BCHE
SCHEMBL684360 0.72 CA5A (0.54) UTS2RCA5ACYP3A4TSHRHSD17B10
Iodide SCHEMBL21931827 0.71 UTS2R (0.52) UTS2RCYP3A4CYP2D6KCNH2TSHR
SCHEMBL516003 0.71 TLR8 (0.51) KCNH2NPC1RAB9AKCNH3ALDH1A1
SCHEMBL23319481 0.71 HDAC1 (0.54) KDM4EMEN1NPC1RAB9AKMT2A
SCHEMBL31351894 0.71 HDAC1 (0.54) KDM4EMEN1NPC1RAB9AKMT2A
Tetradecane SCHEMBL9931701 0.71 ALDH1A1 (0.64) UTS2RBCHEHSD17B10KDM4EMEN1

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 4 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
WO-2010025872-A2 ALFA-CARBOLINE INHIBITORS OF NPM-ALK, RET, AND BCR-ABL UNIVERSITA' DEGLI STUDI DI MILANO-BICOCCA (IT) 2010-03-11 WO 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 UTS2R 4708/4885CA5A 1904/4885CYP3A4 3175/4885

“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.