SCHEMBL676197

SCHEMBL676197

O=C(O)c1ccc2[nH]c3nc(Cl)ccc3c2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.48
KDM4E B2RXH2 5/20 0.48
ALDH1A1 P00352 1/20 0.48
THRB P10828 1/20 0.48
HPGD P15428 1/20 0.48
RECQL P46063 2/20 0.44
NAPRT Q6XQN6 1/20 0.44
HSD17B10 Q99714 2/20 0.43
TSHR P16473 2/20 0.43
GMNN O75496 1/20 0.43
LMNA P02545 1/20 0.43
CYP1A2 P05177 1/20 0.43
PKM P14618 1/20 0.43
ADORA2A P29274 1/20 0.43
ADORA1 P30542 1/20 0.43
CYP2C19 P33261 1/20 0.43
MTOR P42345 1/20 0.43
BLM P54132 1/20 0.43
PMP22 Q01453 1/20 0.43
HIF1A Q16665 1/20 0.43

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
SCHEMBL676378 0.86 ALDH1A1 (0.45) KDM4EALDH1A1HPGDHSD17B10TSHR
SCHEMBL674652 0.84 CYP1A2 (0.43) KDM4EALDH1A1HPGDHSD17B10TSHR
SCHEMBL676048 0.83 GSK3B (0.41) KIF11KDM4EALDH1A1HPGDHSD17B10
SCHEMBL675022 0.82 KIF11 (0.41) KIF11KDM4EALDH1A1HPGDHSD17B10
SCHEMBL675470 0.82 KDM4E (0.55) KIF11KDM4EALDH1A1THRBHPGD
SCHEMBL16241834 0.81 KDM4E (0.35) KIF11KDM4EALDH1A1HPGDHSD17B10
SCHEMBL676824 0.81 KDM4E (0.42) KDM4EALDH1A1HPGDHSD17B10TSHR
SCHEMBL674944 0.80 HSP90AA1 (0.46) ALDH1A1HPGDTSHRLMNATDP1
SCHEMBL3732599 0.80 CTNNB1 (0.36) KIF11KDM4EALDH1A1HPGDHSD17B10
SCHEMBL676064 0.80 RIPK1 (0.41) KIF11KDM4EALDH1A1HPGDLMNA

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 KIF11 2832/4885KDM4E 2789/4885ALDH1A1 749/4885

“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.