SCHEMBL3096387

SCHEMBL3096387

NCc1c(-c2ccc(F)cc2F)ncn1Cc1cccc(F)c1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CDK9 P50750 8/20 0.43
MAPK14 Q16539 2/20 0.40
TAAR1 Q96RJ0 1/20 0.40
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
DPP4 P27487 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
BCL2L2 Q92843 1/20 0.39
ROCK2 O75116 1/20 0.38
ROCK1 Q13464 1/20 0.38
DBH P09172 1/20 0.38

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
SCHEMBL3103140 0.91 DPP4 (0.40) CDK9CYP11B1CYP11B2DPP4L3MBTL1
SCHEMBL3102807 0.89 TAAR1 (0.41) TAAR1ROCK2ROCK1
SCHEMBL3096357 0.89 DPP4 (0.41) CDK9MAPK14CYP11B1CYP11B2DPP4
SCHEMBL3595937 0.88 CDK9 (0.46) CDK9
SCHEMBL3088784 0.88 HPGD (0.43) MAPK14TAAR1BCL2L2ROCK2ROCK1
SCHEMBL3096481 0.86 PKM (0.42) CDK9CYP11B1CYP11B2DPP4L3MBTL1
SCHEMBL3084292 0.84 CNR1 (0.46) CDK9DPP4
SCHEMBL3096527 0.84 DPP4 (0.41) MAPK14DPP4
SCHEMBL3087715 0.83 DPP4 (0.39) DPP4BCL2L2
SCHEMBL3096790 0.82 DPP4 (0.40) MAPK14DPP4BCL2L2ROCK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7728146-B2 Enzyme inhibitors PROBIODRUG AG (DE) 2010-06-01 US claimed
US-20100234397-A1 ENZYME INHIBITORS PROBIODRUG AG (DE) 2010-09-16 US disclosed
US-20100234397-A1 ENZYME INHIBITORS PROBIODRUG AG (DE) 2010-09-16 US disclosed
US-20100234397-A1 ENZYME INHIBITORS PROBIODRUG AG (DE) 2010-09-16 US disclosed
US-7728146-B2 Enzyme inhibitors PROBIODRUG AG (DE) 2010-06-01 US disclosed
US-7728146-B2 Enzyme inhibitors PROBIODRUG AG (DE) 2010-06-01 US disclosed
US-7728146-B2 Enzyme inhibitors PROBIODRUG AG (DE) 2010-06-01 US disclosed
US-20070244177-A1 ENZYME INHIBITORS PROBIODRUG AG (DE) 2007-10-18 US disclosed
US-20070244177-A1 ENZYME INHIBITORS PROBIODRUG AG (DE) 2007-10-18 US disclosed
US-20070244177-A1 ENZYME INHIBITORS PROBIODRUG AG (DE) 2007-10-18 US disclosed
WO-2007116092-A1 ENZYME INHIBITORS PROBIODRUG AG (DE) 2007-10-18 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 (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-20070244177-A1 ENZYME INHIBITORS ACHE, BACE1, MAOA CDK9 532/4885MAPK14 3977/4885TAAR1 528/4885
US-20100234397-A1 ENZYME INHIBITORS ACHE, MAOA, BACE1 CDK9 479/4885MAPK14 3727/4885TAAR1 692/4885

“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.