SCHEMBL676477

SCHEMBL676477

C=C(c1ccccc1)c1ccc2[nH]c3nc(C(=C)c4ccccc4)ccc3c2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 5/20 0.41
CHEK1 O14757 1/20 0.41
CA5A P35218 1/20 0.37
FGFR1 P11362 2/20 0.34
PIM1 P11309 1/20 0.34
PIM2 Q9P1W9 1/20 0.34
KDM4E B2RXH2 5/20 0.33
ALDH1A1 P00352 5/20 0.33
HPGD P15428 3/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
TRPV3 Q8NET8 1/20 0.33
BRD4 O60885 1/20 0.33
FLT1 P17948 1/20 0.32
HSD17B10 Q99714 2/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 2/20 0.32
HCRTR1 O43613 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL675248 0.86 CA5A (0.51) KDRCHEK1CA5AKDM4EALDH1A1
SCHEMBL676824 0.85 KDM4E (0.42) KDRCHEK1CA5AFGFR1KDM4E
SCHEMBL675413 0.84 NPC1 (0.39) KDRKDM4EALDH1A1HPGDMEN1
SCHEMBL698442 0.82 KDR (0.39) KDRCHEK1CA5AFGFR1KDM4E
SCHEMBL676244 0.81 CTNNB1 (0.34) KDRCHEK1CA5AKDM4EALDH1A1
SCHEMBL11860308 0.81 KDR (0.46) KDRCHEK1KDM4EALDH1A1HPGD
SCHEMBL3664375 0.75 MAP2 (0.43) KDRCHEK1KDM4EMEN1KMT2A
SCHEMBL675735 0.74 MAPT (0.43) KDM4EALDH1A1MEN1KMT2AMAPT
SCHEMBL675373 0.72 PTK6 (0.49) KDRKDM4EALDH1A1KMT2AMAPT
SCHEMBL676448 0.72 ALK (0.42) KDRCHEK1MEN1KMT2A

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 KDR 216/4885CHEK1 1744/4885CA5A 1904/4885

“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.