SCHEMBL15123728

SCHEMBL15123728

Cc1ccc(NC(=O)c2ccnc(N3CCOCC3)c2)cc1-n1ccc2ncc(-c3cccnc3)n21

nearest known ligand 0.68

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TEK Q02763 3/20 0.68
BRAF P15056 12/20 0.52
RAF1 P04049 11/20 0.52
MAPK14 Q16539 5/20 0.52
MAPK13 O15264 1/20 0.49
HSPB1 P04792 1/20 0.49
MAPK12 P53778 1/20 0.49
MAPK11 Q15759 1/20 0.49

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
SCHEMBL15122922 0.93 TEK (0.67) TEKBRAFRAF1MAPK14HSPB1
SCHEMBL15123101 0.92 TEK (0.68) TEKRAF1MAPK14HSPB1
SCHEMBL15123251 0.83 TEK (0.66) TEK
SCHEMBL15123237 0.82 TEK (0.66) TEKMAPK14
SCHEMBL15123086 0.82 TEK (0.61) TEK
SCHEMBL15123330 0.81 TEK (0.67) TEK
SCHEMBL15123725 0.81 TEK (1.00) TEK
SCHEMBL4019824 0.81 TEK (0.71) TEKBRAFRAF1MAPK14
SCHEMBL15122780 0.80 TEK (0.64) TEKBRAF
SCHEMBL15122924 0.80 TEK (0.64) TEKBRAF

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-9394309-B2 Substituted phenylimidazopyrazoles and their use BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-07-19 US disclosed
US-20150005288-A1 SUBSTITUTED PHENYLIMIDAZOPYRAZOLES AND USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-01-01 US disclosed
EP-2807162-A1 SUBSTITUTED PHENYLIMIDAZOPYRAZOLES AND USE THEREOF Bayer Pharma Aktiengesellschaft (DE) 2014-12-03 EP disclosed
WO-2013110590-A1 SUBSTITUTED PHENYLIMIDAZOPYRAZOLES AND USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2013-08-01 WO disclosed
US-20130190290-A1 Substituted phenylimidazopyrazoles and their use BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-07-25 US 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 (2 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-20150005288-A1 SUBSTITUTED PHENYLIMIDAZOPYRAZOLES AND USE THEREOF VHL, FLT4, FLT1 TEK 22/4885BRAF 21/4885RAF1 168/4885
US-20130190290-A1 Substituted phenylimidazopyrazoles and their use VHL, FLT4, FLT1 TEK 29/4885BRAF 19/4885RAF1 152/4885

“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.