SCHEMBL5090621

SCHEMBL5090621

CCn1c(NC(=O)c2ccc(F)cc2)nc2cc(Cl)ccc21

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.59
KDM4E B2RXH2 4/20 0.59
RXFP1 Q9HBX9 1/20 0.59
RAB9A P51151 4/20 0.57
TDP1 Q9NUW8 2/20 0.57
NPSR1 Q6W5P4 1/20 0.57
RPS6KA3 P51812 2/20 0.57
HPGD P15428 2/20 0.52
HTT P42858 1/20 0.52
NPC1 O15118 3/20 0.51
OPRM1 P35372 2/20 0.50
OPRD1 P41143 2/20 0.50
OPRK1 P41145 2/20 0.50
ITK Q08881 4/20 0.49
GAA P10253 1/20 0.49
MAPT P10636 1/20 0.49
IRAK4 Q9NWZ3 1/20 0.49
RPS6KA2 Q15349 1/20 0.48
LMNA P02545 3/20 0.48
TSHR P16473 2/20 0.48

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
SCHEMBL5087740 0.73 KDM4E (0.54) ALDH1A1KDM4ERXFP1RAB9ATDP1
SCHEMBL11746283 0.72 OPRK1 (0.53) ALDH1A1KDM4ERAB9ANPSR1HPGD
SCHEMBL5087597 0.72 KDM4E (0.71) ALDH1A1KDM4ERXFP1RAB9ATDP1
SCHEMBL5097330 0.71 KDM4E (0.70) ALDH1A1KDM4ERXFP1RAB9ATDP1
SCHEMBL5097531 0.71 IRAK4 (0.69) ALDH1A1KDM4ERXFP1OPRM1OPRD1
Dimethylamine SCHEMBL6932652 0.71 KDM4E (0.79) ALDH1A1KDM4ERXFP1RAB9ATDP1
SCHEMBL5038741 0.71 NPC1 (0.67) ALDH1A1KDM4ERXFP1RAB9ATDP1
Dimethylamine SCHEMBL6930444 0.70 KDM4E (0.92) ALDH1A1KDM4ERXFP1RAB9ATDP1
SCHEMBL11706495 0.70 RAB9A (0.51) ALDH1A1KDM4ERAB9ATDP1NPSR1
SCHEMBL3604861 0.70 IRAK4 (0.80) ALDH1A1KDM4ERXFP1RAB9ATDP1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7338956-B2 Acylamino-substituted heteroaromatic compounds and their use as pharmaceuticals SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2008-03-04 US disclosed
EP-1534275-A1 ACYLAMINO-SUBSTITUTED HETEROAROMATIC COMPOUNDS AND THEIR USE AS PHARMACEUTICALS Aventis Pharma Deutschland GmbH (DE) 2005-06-01 EP disclosed
US-20040110808-A1 Acylamino-substituted heteroaromatic compounds and their use as pharmaceuticals AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-06-10 US disclosed
WO-2004014369-A1 ACYLAMINO-SUBSTITUTED HETEROAROMATIC COMPOUNDS AND THEIR USE AS PHARMACEUTICALS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-02-19 WO disclosed
EP-1388341-A1 Acylamino-substituted heteroaromatic compounds and their use as pharmaceuticals Aventis Pharma Deutschland GmbH (DE) 2004-02-11 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-20040110808-A1 Acylamino-substituted heteroaromatic compounds and their use as pharmaceuticals EDNRA, LIPG, CYP11B1 ALDH1A1 320/4885KDM4E 861/4885RXFP1 479/4885

“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.