SCHEMBL677070

SCHEMBL677070

CCCCCc1cc(N)c2c(n1)[nH]c1ccc(-c3ccco3)cc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.42
PDPK1 O15530 2/20 0.39
KDM4E B2RXH2 4/20 0.38
HPGD P15428 3/20 0.38
NPSR1 Q6W5P4 1/20 0.38
GABRA1 P14867 3/20 0.37
GABRG2 P18507 3/20 0.37
GABRB3 P28472 3/20 0.37
GABRA5 P31644 3/20 0.37
GABRA3 P34903 3/20 0.37
GABRA2 P47869 3/20 0.37
GABRA6 Q16445 3/20 0.37
ADORA2A P29274 3/20 0.36
ADORA3 P0DMS8 1/20 0.36
ADORA2B P29275 1/20 0.36
ADORA1 P30542 1/20 0.36
GABRA4 P48169 2/20 0.36
CCNE2 O96020 1/20 0.35
CCNE1 P24864 1/20 0.35
CDK2 P24941 1/20 0.35

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
SCHEMBL3732265 0.84 CNR2 (0.43) CNR2PDPK1KDM4EHPGDGABRA1
SCHEMBL675732 0.84 KDM4E (0.43) CNR2PDPK1KDM4EGABRA1GABRG2
SCHEMBL675583 0.82 CNR2 (0.42) CNR2PDPK1KDM4EHPGDNPSR1
SCHEMBL3723800 0.80 CNR2 (0.43) CNR2KDM4EHPGDGABRA1GABRG2
SCHEMBL675789 0.80 TLR8 (0.42) CNR2KDM4EHPGDNPSR1GABRA1
SCHEMBL676481 0.79 HRH2 (0.49) CCNE1CDK2HRH3
SCHEMBL676276 0.76 MCHR1 (0.41) PDPK1KDM4EGABRA1GABRG2GABRB3
SCHEMBL675788 0.75 GABRA1 (0.39) CNR2PDPK1GABRA1GABRG2GABRB3
SCHEMBL675459 0.74 JAK2 (0.52) HPGDTSHRHRH3SMN1; SMN2CHEK1
SCHEMBL3722600 0.73 AGER (0.40) HRH3

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 CNR2 965/4885PDPK1 891/4885KDM4E 2789/4885

“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.