SCHEMBL677052

SCHEMBL677052

CCCCC(N)c1cnc2[nH]c3ccc(/C=C/c4ccc(OC)cc4)cc3c2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 1/20 0.39
ALK Q9UM73 2/20 0.38
TAS1R3 Q7RTX0 1/20 0.37
TAS1R1 Q7RTX1 1/20 0.37
GLA P06280 2/20 0.35
NPC1 O15118 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TUBB1 Q9H4B7 2/20 0.35
MAPT P10636 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
EGFR P00533 1/20 0.34
PDGFRB P09619 1/20 0.34
PDGFRA P16234 1/20 0.34
TUBB4A P04350 1/20 0.34
TUBB P07437 1/20 0.34
TUBA3C P0DPH7 1/20 0.34

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
SCHEMBL676561 0.89 IP6K1 (0.36) ALKCYP1A2CNR1
SCHEMBL675723 0.87 CCNB2 (0.40) ALKNPC1CYP1A2CYP2C9CYP2C19
SCHEMBL675668 0.82 TAS1R3 (0.37) AHRALKTAS1R3TAS1R1GLA
SCHEMBL675008 0.81 ALK (0.48) AHRALKTAS1R3TAS1R1GLA
SCHEMBL3723528 0.80 TUBB4A (0.45) AHRALKGLANPC1CYP1A2
SCHEMBL3726833 0.80 AHR (0.42) AHRALKGLANPC1CYP1A2
SCHEMBL3726831 0.80 AHR (0.42) AHRALKGLANPC1CYP1A2
SCHEMBL3723526 0.80 TUBB4A (0.45) AHRALKGLANPC1CYP1A2
SCHEMBL676281 0.77 RELA (0.48) AHRALKGLACYP1A2TUBB1
SCHEMBL3727408 0.76 MEN1 (0.41) CYP2C9MAPTTDP1CNR1GSK3B

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 AHR 864/4885ALK 1/4885TAS1R3 3700/4885

“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.