SCHEMBL675228

SCHEMBL675228

C=C(c1ccc2[nH]c3nc(Cl)ccc3c2c1)c1ccccc1F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.36
PKM P14618 2/20 0.36
ADORA2A P29274 2/20 0.36
ADORA1 P30542 2/20 0.36
CYP2C19 P33261 2/20 0.36
KDM4E B2RXH2 1/20 0.36
GMNN O75496 1/20 0.36
CYP1A2 P05177 1/20 0.36
TSHR P16473 1/20 0.36
MTOR P42345 1/20 0.36
BLM P54132 1/20 0.36
PMP22 Q01453 1/20 0.36
HIF1A Q16665 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CA5A P35218 1/20 0.35
CTNNB1 P35222 2/20 0.34
WNT3A P56704 2/20 0.34
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
TP53 P04637 1/20 0.32

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
SCHEMBL676244 0.87 CTNNB1 (0.34) LMNAPKMADORA2AADORA1CYP2C19
SCHEMBL676824 0.84 KDM4E (0.42) LMNAPKMADORA2AADORA1CYP2C19
SCHEMBL674860 0.81 SMN1; SMN2 (0.38) CTNNB1WNT3ARAB9APOLBALDH1A1
SCHEMBL3721857 0.79 GABRP (0.35) KDM4ECYP1A2TSHRHSD17B10CTNNB1
SCHEMBL676840 0.78 AURKA (0.42) NPC1RAB9A
SCHEMBL676185 0.75 ERBB2 (0.38) POLB
SCHEMBL3666125 0.75 KCNQ3 (0.42) PKMKDM4ETSHRHSD17B10NPC1
SCHEMBL676378 0.74 ALDH1A1 (0.45) LMNAPKMADORA2AADORA1CYP2C19
SCHEMBL676197 0.73 KIF11 (0.48) LMNAPKMADORA2AADORA1CYP2C19
SCHEMBL676477 0.70 KDR (0.41) LMNAKDM4EHSD17B10CA5ARAB9A

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 LMNA 1863/4885PKM 858/4885ADORA2A 4167/4885

“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.