SCHEMBL675836

SCHEMBL675836

CCCC#Cc1ccc2c3ccccc3n(COCC)c2n1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.35
CASP1 P29466 4/20 0.35
CASP7 P55210 4/20 0.35
USP2 O75604 3/20 0.35
ALOX15 P16050 2/20 0.35
MAPT P10636 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
LMNA P02545 2/20 0.35
MAPK1 P28482 2/20 0.35
POLB P06746 1/20 0.35
HSD17B10 Q99714 5/20 0.35
ALDH1A1 P00352 4/20 0.35
KDM4E B2RXH2 4/20 0.35
L3MBTL1 Q9Y468 3/20 0.35
HPGD P15428 2/20 0.35
GAA P10253 1/20 0.35
ATM Q13315 1/20 0.35
NPC1 O15118 2/20 0.34
PGR P06401 1/20 0.34
RORA P35398 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
SCHEMBL676181 0.84 GRM5 (0.42) TSHRCASP1CASP7USP2ALOX15
SCHEMBL678771 0.81 GPR3 (0.40) TSHRCASP1CASP7USP2ALOX15
SCHEMBL675907 0.79 GRM5 (0.39) TSHRALOX15MAPTHSD17B10ALDH1A1
SCHEMBL674752 0.77 PTGER4 (0.49) TSHRCASP1CASP7USP2ALOX15
SCHEMBL676145 0.77 CYP1A2 (0.41) TSHRCASP1CASP7USP2ALOX15
SCHEMBL676070 0.76 UTS2R (0.33) TSHRCASP1CASP7USP2ALOX15
SCHEMBL676186 0.68 POLB (0.41) TSHRCASP1CASP7USP2ALOX15
SCHEMBL676114 0.67 PTGER4 (0.56) TSHRALOX15HSD17B10ALDH1A1KDM4E
SCHEMBL13553021 0.65 MEN1 (0.49) TSHRMAPTTDP1MAPK1HSD17B10
SCHEMBL676791 0.65 PTGER4 (0.49) TSHRCASP1CASP7USP2ALOX15

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 5 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
EP-2139879-A1 QUINOLINE DERIVATIVES FOR THE TREATMENT OF INFLAMMATORY DISEASES AstraZeneca AB (SE) 2010-01-06 EP disclosed
WO-2008114002-A1 QUINOLINE DERIVATIVES FOR THE TREATMENT OF INFLAMMATORY DISEASES ASTRAZENECA AB (SE) 2008-09-25 WO 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 TSHR 3483/4885CASP1 1248/4885CASP7 2128/4885

“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.