SCHEMBL676445

SCHEMBL676445

O=C(NCCc1ccc2[nH]c3nc(-c4ccccc4-c4ccccc4)ccc3c2c1)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.42
MMP9 P14780 1/20 0.42
MMP8 P22894 1/20 0.42
MAPK3 P27361 1/20 0.41
MAPK1 P28482 1/20 0.41
KDM4E B2RXH2 4/20 0.41
ALDH1A1 P00352 3/20 0.41
HPGD P15428 2/20 0.41
ESRRG P62508 1/20 0.41
MAPT P10636 4/20 0.40
GAA P10253 2/20 0.40
CNR1 P21554 1/20 0.40
NR1H2 P55055 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
HSD17B10 Q99714 1/20 0.40
KDM5A P29375 1/20 0.40
KDM5C P41229 1/20 0.40
KDM5B Q9UGL1 1/20 0.40
RAB9A P51151 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
SCHEMBL676446 0.90 MEN1 (0.45) MMP2MMP9MMP8MAPK3MAPK1
SCHEMBL698444 0.83 SMN1; SMN2 (0.54) MMP2MMP9MMP8MAPK1ALDH1A1
SCHEMBL674808 0.83 SNCA (0.42) MMP2MMP9MMP8MAPK3MAPK1
SCHEMBL674656 0.83 MAPT (0.52) KDM4EALDH1A1HPGDMAPTMEN1
SCHEMBL675853 0.83 ALDH1A1 (0.51) MAPK1KDM4EALDH1A1HPGDMAPT
SCHEMBL675502 0.83 RAB9A (0.47) MAPK3MAPK1KDM4EALDH1A1ESRRG
SCHEMBL674590 0.80 KDM5B (0.44) MMP2MMP9MMP8MAPK3MAPK1
SCHEMBL676050 0.79 KDM4E (0.48) KDM4EALDH1A1HPGDGAAKMT2A
SCHEMBL675623 0.78 HDAC2 (0.41) MMP2MMP9MMP8MAPK3MAPK1
SCHEMBL675622 0.78 HDAC2 (0.41) MMP2MMP9MMP8MAPK3MAPK1

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 MMP2 2741/4885MMP9 3358/4885MMP8 1505/4885

“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.