SCHEMBL676446

SCHEMBL676446

O=C(NCCc1ccc2[nH]c3nc(-c4ccc(-c5ccccc5)cc4)ccc3c2c1)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
CDK4 P11802 2/20 0.44
CCND1 P24385 2/20 0.44
MMP2 P08253 1/20 0.43
MMP9 P14780 1/20 0.43
MMP8 P22894 1/20 0.43
NR1H2 P55055 1/20 0.43
MAPT P10636 3/20 0.43
TP53 P04637 1/20 0.43
NQO2 P16083 1/20 0.43
TRPV1 Q8NER1 1/20 0.43
SNCA P37840 1/20 0.42
MAPK3 P27361 1/20 0.42
MAPK1 P28482 1/20 0.42
F10 P00742 1/20 0.42
ESRRG P62508 1/20 0.42
HIF1A Q16665 2/20 0.41
MAPKAPK2 P49137 1/20 0.41

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
SCHEMBL674656 0.91 MAPT (0.52) MEN1KMT2ACDK4CCND1MAPT
SCHEMBL676445 0.90 MMP2 (0.42) MEN1KMT2ACDK4CCND1MMP2
SCHEMBL698444 0.87 SMN1; SMN2 (0.54) MEN1KMT2AMMP2MMP9MMP8
SCHEMBL676050 0.86 KDM4E (0.48) KMT2AHIF1A
SCHEMBL675853 0.84 ALDH1A1 (0.51) MEN1KMT2AMAPTTP53MAPK1
SCHEMBL675502 0.84 RAB9A (0.47) MEN1KMT2ARXFP1MAPTTP53
SCHEMBL674809 0.82 HIF1A (0.48) MEN1KMT2ARXFP1CDK4CCND1
SCHEMBL675622 0.80 HDAC2 (0.41) MEN1KMT2ARXFP1MMP2MMP9
SCHEMBL675623 0.80 HDAC2 (0.41) MEN1KMT2ARXFP1MMP2MMP9
SCHEMBL684505 0.80 KMT2A (0.51) MEN1KMT2AMAPTMAPK3MAPK1

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 MEN1 1324/4885KMT2A 492/4885RXFP1 627/4885

“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.