SCHEMBL676917

SCHEMBL676917

Clc1ccc2c(n1)[nH]c1ccc(C#Cc3ccccc3)cc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.44
GMNN O75496 1/20 0.44
LMNA P02545 1/20 0.44
CYP1A2 P05177 1/20 0.44
PKM P14618 1/20 0.44
TSHR P16473 1/20 0.44
ADORA2A P29274 1/20 0.44
ADORA1 P30542 1/20 0.44
CYP2C19 P33261 1/20 0.44
MTOR P42345 1/20 0.44
BLM P54132 1/20 0.44
PMP22 Q01453 1/20 0.44
HIF1A Q16665 1/20 0.44
HSD17B10 Q99714 1/20 0.44
CA5A P35218 1/20 0.41
MAPT P10636 1/20 0.40
SNCA P37840 1/20 0.40
ASIC3 Q9UHC3 2/20 0.40
GRM5 P41594 4/20 0.40
IP6K1 Q92551 1/20 0.38

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
SCHEMBL3396582 0.87 PIKFYVE (0.38) KDM4EGMNNLMNACYP1A2PKM
SCHEMBL676829 0.79 CHRNB2 (0.36) KDM4EGMNNLMNACYP1A2PKM
SCHEMBL675919 0.78 KDM4E (0.54) KDM4EGMNNLMNACYP1A2PKM
SCHEMBL675871 0.78 NPC1 (0.43) KDM4EGMNNLMNACYP1A2PKM
SCHEMBL674645 0.78 JAK2 (0.43) IP6K1IP6K3IP6K2GRM4EGFR
SCHEMBL674727 0.77 PIKFYVE (0.41) CYP1A2MAPTGRM5SIRT2
SCHEMBL676378 0.76 ALDH1A1 (0.45) KDM4EGMNNLMNACYP1A2PKM
SCHEMBL675082 0.75 CA5A (0.68) KDM4EGMNNLMNACYP1A2PKM
SCHEMBL676823 0.75 KDM4E (0.44) KDM4EGMNNLMNACYP1A2PKM
SCHEMBL679240 0.75 KDM4E (0.44) KDM4EGMNNLMNACYP1A2PKM

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 KDM4E 2789/4885GMNN 2138/4885LMNA 1863/4885

“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.