SCHEMBL3757431

SCHEMBL3757431

O=c1cc[nH]c2ncnc(Nc3ccc([N+](=O)[O-])cc3)c12

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TTBK1 Q5TCY1 8/20 0.62
▸ TTBK2 Q6IQ55 8/20 0.62
▸ EGFR P00533 3/20 0.49
▸ MEN1 O00255 1/20 0.47
▸ NPC1 O15118 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ ABCG2 Q9UNQ0 1/20 0.46
▸ ALK Q9UM73 1/20 0.44
▸ PRMT1 Q99873 1/20 0.42
▸ ROCK1 Q13464 1/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ HPGD P15428 1/20 0.41
▸ ALOX12 P18054 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ DHODH Q02127 1/20 0.40
▸ CA1 P00915 1/20 0.40
▸ CA2 P00918 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
SCHEMBL3761579 0.84 TTBK1 (0.55) TTBK1TTBK2EGFR
SCHEMBL30827876 0.83 TTBK1 (0.86) TTBK1TTBK2EGFR
SCHEMBL29199888 0.83 TTBK1 (0.86) TTBK1TTBK2EGFR
SCHEMBL13058088 0.79 TTBK1 (0.45) TTBK1TTBK2EGFR
SCHEMBL3531165 0.78 EGFR (0.50) TTBK1TTBK2EGFRMAPT
SCHEMBL30122938 0.77 TTBK1 (1.00) TTBK1TTBK2EGFR
SCHEMBL30123191 0.77 TTBK1 (1.00) TTBK1TTBK2
SCHEMBL4923454 0.75 TTBK1 (0.56) TTBK1TTBK2EGFRABCG2ALK
SCHEMBL12391478 0.71 LRRK2 (0.40) TTBK1TTBK2RAB9AKMT2AALDH1A1
SCHEMBL4923460 0.71 ROCK1 (0.64) TTBK1TTBK2MEN1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1809629-B1 N,N'-diphenyl urea derivatives suitable for the treatment of tumours, eye diseases, inflammation and diseases of the immune system MERCK PATENT GMBH (DE) 2012-06-13 — — EP disclosed
EP-1809629-B1 N,N'-diphenyl urea derivatives suitable for the treatment of tumours, eye diseases, inflammation and diseases of the immune system MERCK PATENT GMBH (DE) 2012-06-13 — — EP disclosed
US-7846927-B2 N,N′-diphenylurea derivatives suitable as kinase inhibitors MERCK PATENT GMBH (DE) 2010-12-07 — — US disclosed
US-7846927-B2 N,N′-diphenylurea derivatives suitable as kinase inhibitors MERCK PATENT GMBH (DE) 2010-12-07 — — US disclosed
US-20070293488-A1 tyrosine kinase inhibitors such as 1-(2-fluoro-5-trifluoromethylphenyl)-3-[4-(5-oxo-5,8-dihydropyrido[2,3-d]pyrimidin-4-ylamino)phenyl]urea, used as antitumor or anticarcinogenic agents or for the treatment of psoriasis, arthritis, retinopathy or dermatitis MERCK PATENT GMBH (DE) 2007-12-20 — — US disclosed
US-20070293488-A1 tyrosine kinase inhibitors such as 1-(2-fluoro-5-trifluoromethylphenyl)-3-[4-(5-oxo-5,8-dihydropyrido[2,3-d]pyrimidin-4-ylamino)phenyl]urea, used as antitumor or anticarcinogenic agents or for the treatment of psoriasis, arthritis, retinopathy or dermatitis MERCK PATENT GMBH (DE) 2007-12-20 — — US disclosed
US-20070293488-A1 tyrosine kinase inhibitors such as 1-(2-fluoro-5-trifluoromethylphenyl)-3-[4-(5-oxo-5,8-dihydropyrido[2,3-d]pyrimidin-4-ylamino)phenyl]urea, used as antitumor or anticarcinogenic agents or for the treatment of psoriasis, arthritis, retinopathy or dermatitis MERCK PATENT GMBH (DE) 2007-12-20 — — US disclosed
EP-1809629-A1 N,N'-DIPHENYL UREA DERIVATIVES SUITABLE AS KINASE INHIBITORS Merck Patent GmbH (DE) 2007-07-25 — — EP disclosed
WO-2006050779-A1 N,N'-DIPHENYL UREA DERIVATIVES SUITABLE AS KINASE INHIBITORS MERCK PATENT GMBH (DE) 2006-05-18 — — WO 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-20070293488-A1 tyrosine kinase inhibitors such as 1-(2-fluoro-5-trifluoromethylphenyl)-3-[4-(5-oxo-5,8-dihydropyrido[2,3-d]pyrimidin-4-ylamino)phenyl]urea, used as antitumor or anticarcinogenic agents or for the treatment of psoriasis, arthritis, retinopathy or dermatitis TIE1, FLT1, FER TTBK1 211/4885TTBK2 175/4885EGFR 97/4885

“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.

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