SCHEMBL676378

SCHEMBL676378

O=C(c1ccccc1)c1ccc2[nH]c3nc(Cl)ccc3c2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.45
ABL1 P00519 3/20 0.45
RAB9A P51151 3/20 0.45
LMNA P02545 2/20 0.45
CYP1A2 P05177 2/20 0.45
HIF1A Q16665 2/20 0.45
HPGD P15428 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
KDM4E B2RXH2 2/20 0.45
POLB P06746 1/20 0.45
GMNN O75496 1/20 0.45
PKM P14618 1/20 0.45
TSHR P16473 1/20 0.45
ADORA2A P29274 1/20 0.45
ADORA1 P30542 1/20 0.45
CYP2C19 P33261 1/20 0.45
MTOR P42345 1/20 0.45
BLM P54132 1/20 0.45
PMP22 Q01453 1/20 0.45
HSD17B10 Q99714 1/20 0.45

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
SCHEMBL676197 0.86 KIF11 (0.48) ALDH1A1LMNACYP1A2HIF1AHPGD
SCHEMBL676824 0.84 KDM4E (0.42) ALDH1A1RAB9ALMNACYP1A2HIF1A
SCHEMBL675477 0.84 RAB9A (0.51) ALDH1A1ABL1RAB9ALMNACYP1A2
SCHEMBL675108 0.80 CA1 (0.46) ALDH1A1RAB9ALMNACYP1A2HIF1A
SCHEMBL674652 0.80 CYP1A2 (0.43) ALDH1A1LMNACYP1A2HIF1AHPGD
SCHEMBL676048 0.79 GSK3B (0.41) ALDH1A1RAB9ALMNACYP1A2HIF1A
SCHEMBL674851 0.79 MAP2 (0.49) ALDH1A1ABL1RAB9AHPGDSMN1; SMN2
SCHEMBL677456 0.78 ALK (0.47) ALDH1A1ABL1RAB9AHPGDSMN1; SMN2
SCHEMBL675022 0.78 KIF11 (0.41) ALDH1A1RAB9ALMNACYP1A2HIF1A
SCHEMBL16241834 0.77 KDM4E (0.35) ALDH1A1LMNACYP1A2HIF1AHPGD

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 ALDH1A1 749/4885ABL1 8/4885RAB9A 2539/4885

“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.