SCHEMBL676041

SCHEMBL676041

O=[N+]([O-])C=Cc1ccc2[nH]c3ncc(Cl)cc3c2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 8/20 0.47
VCP P55072 3/20 0.41
EGFR P00533 2/20 0.40
ABL1 P00519 1/20 0.40
ABL2 P42684 1/20 0.40
TLR4 O00206 3/20 0.39
TLR2 O60603 3/20 0.39
TERT O14746 1/20 0.39
MAOA P21397 2/20 0.39
MAOB P27338 2/20 0.39
MAPT P10636 1/20 0.37
IDO1 P14902 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
MAPK1 P28482 1/20 0.37
CYP2C19 P33261 1/20 0.37
NPC1 O15118 1/20 0.37
MTOR P42345 1/20 0.37
RAB9A P51151 1/20 0.37

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
SCHEMBL678791 1.00 FBP1 (0.47) FBP1VCPEGFRABL1ABL2
SCHEMBL679342 0.81 TLR4 (0.51) FBP1VCPEGFRABL1ABL2
SCHEMBL11772249 0.81 FBP1 (0.56) FBP1VCPEGFRABL1ABL2
SCHEMBL675117 0.80 KIF11 (0.51) ABL1MAPT
SCHEMBL3398290 0.79 ALK (0.44) MAPTNPSR1MAPK1NPC1RAB9A
SCHEMBL679339 0.79 ALK (0.44) MAPTNPSR1MAPK1NPC1RAB9A
SCHEMBL674859 0.76 NFE2L2 (0.47)
SCHEMBL676281 0.75 RELA (0.48) ABL1MAPTCYP1A2
SCHEMBL15873503 0.74 CHUK (0.54) ABL1MAPTCYP1A2MAPK1
SCHEMBL674243 0.73 GABRA1 (0.47) EGFRMAPTIDO1NPC1RAB9A

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 6 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 claimed
US-20110281862-A1 ALFA-CARBOLINE INHIBITORS OF NPM-ALK, RET, AND BCR-ABL UNIVERSITA' DEGLI STUDI DI MILANO - BICOCCA (IT) 2011-11-17 US claimed
EP-2161271-A1 Alpha-carboline inhibitors of NMP-ALK, RET, and Bcr-Abl Università Degli Studi Di Milano - Bicocca (IT) 2010-03-10 EP claimed
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 FBP1 4366/4885VCP 4179/4885EGFR 226/4885

“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.