SCHEMBL5089620

SCHEMBL5089620

O=C(Nc1nc2ccccc2n1-c1ccccc1)c1ccc(F)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.70
NPC1 O15118 5/20 0.70
ALDH1A1 P00352 5/20 0.65
SMN1; SMN2 Q16637 3/20 0.65
KDM4E B2RXH2 10/20 0.62
RXFP1 Q9HBX9 1/20 0.62
OPRM1 P35372 1/20 0.57
OPRD1 P41143 1/20 0.57
OPRK1 P41145 1/20 0.57
MEN1 O00255 5/20 0.54
KMT2A Q03164 5/20 0.54
NPSR1 Q6W5P4 4/20 0.54
MAPT P10636 2/20 0.54
LMNA P02545 2/20 0.54
CRHBP P24387 1/20 0.54
CRHR2 Q13324 1/20 0.54
RPS6KA3 P51812 1/20 0.53
RPS6KA2 Q15349 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
TSHR P16473 4/20 0.51

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
SCHEMBL11707540 0.91 RAB9A (0.69) RAB9ANPC1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL5097405 0.82 IRAK4 (0.58) RAB9ANPC1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL11702096 0.82 RAB9A (0.65) RAB9ANPC1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL29738135 0.82 POLB (0.56) RAB9ANPC1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL5087597 0.79 KDM4E (0.71) RAB9ANPC1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL23043553 0.79 RAB9A (0.49) RAB9ANPC1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL28652762 0.78 ALDH1A1 (0.53) RAB9ANPC1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL29313498 0.77 EGFR (0.53) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL7587674 0.76 RAB9A (0.64) RAB9ANPC1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL16755391 0.76 EGFR (0.61) RAB9ANPC1ALDH1A1SMN1; SMN2KDM4E

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 RAB9A 3101/4885NPC1 1665/4885ALDH1A1 320/4885

“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.