SCHEMBL674808

SCHEMBL674808

O=C(NCCc1ccc2[nH]c3ncc(-c4ccccc4-c4ccccc4)cc3c2c1)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SNCA P37840 1/20 0.42
MAPK3 P27361 1/20 0.42
MAPK1 P28482 1/20 0.42
HIF1A Q16665 3/20 0.42
KDM4E B2RXH2 3/20 0.42
ALDH1A1 P00352 2/20 0.42
HPGD P15428 2/20 0.42
ESRRG P62508 1/20 0.41
MMP2 P08253 1/20 0.41
MMP9 P14780 1/20 0.41
MMP8 P22894 1/20 0.41
RAB9A P51151 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
NPC1 O15118 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CDK8 P49336 1/20 0.41
GAA P10253 1/20 0.40
HSD17B10 Q99714 1/20 0.40
KDM5A P29375 1/20 0.40

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
SCHEMBL674809 0.92 HIF1A (0.48) SNCAMAPK3MAPK1HIF1AESRRG
SCHEMBL676908 0.85 CNR1 (0.52) SNCARAB9AMEN1KMT2ANPC1
SCHEMBL675639 0.85 ALDH1A1 (0.46) SNCAMAPK3MAPK1KDM4EALDH1A1
SCHEMBL676187 0.84 ALDH1A1 (0.54) SNCAMAPK1ALDH1A1HPGDRAB9A
SCHEMBL674926 0.84 TRPV1 (0.52) KDM4EALDH1A1HPGDRAB9AMEN1
SCHEMBL676445 0.83 MMP2 (0.42) MAPK3MAPK1KDM4EALDH1A1HPGD
SCHEMBL674590 0.83 KDM5B (0.44) MAPK3MAPK1KDM4EESRRGMMP2
SCHEMBL676326 0.83 GSK3B (0.43) MAPK3MAPK1KDM4EALDH1A1HPGD
SCHEMBL676327 0.83 GSK3B (0.43) MAPK3MAPK1KDM4EALDH1A1HPGD
SCHEMBL684505 0.81 KMT2A (0.51) MAPK3MAPK1KDM4EALDH1A1HPGD

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 SNCA 1095/4885MAPK3 2289/4885MAPK1 1758/4885

“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.