SCHEMBL3605740

SCHEMBL3605740

NCc1c(-c2ccc(F)cc2Cl)ncn1Cc1cccc(C(F)(F)F)c1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.46
DPP4 P27487 1/20 0.39
CDK9 P50750 7/20 0.39
MAPT P10636 1/20 0.39
ROCK2 O75116 1/20 0.38
ROCK1 Q13464 1/20 0.38
HSD17B13 Q7Z5P4 1/20 0.38
GRIN2B Q13224 1/20 0.38
TACR1 P25103 1/20 0.37
TAAR1 Q96RJ0 1/20 0.37
ICMT O60725 1/20 0.37

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
SCHEMBL3088312 0.91 DPP4 (0.48) P2RX7DPP4MAPTROCK2ROCK1
SCHEMBL3102807 0.90 TAAR1 (0.41) P2RX7MAPTROCK2ROCK1GRIN2B
SCHEMBL3595937 0.89 CDK9 (0.46) CDK9
SCHEMBL3096019 0.87 DPP4 (0.45) DPP4CDK9
SCHEMBL3088769 0.85 CDK9 (0.39) DPP4CDK9MAPT
SCHEMBL3084292 0.83 CNR1 (0.46) DPP4CDK9
SCHEMBL3090214 0.83 P2RX7 (0.45) P2RX7MAPTROCK2ROCK1GRIN2B
SCHEMBL3088999 0.83 WDR5 (0.40) DPP4CDK9
SCHEMBL3100277 0.82 DPP4 (0.39) DPP4CDK9MAPT
SCHEMBL3091238 0.82 MDM2 (0.40) DPP4CDK9

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 8 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-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
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 P2RX7 2321/4885DPP4 147/4885CDK9 532/4885
US-20100234397-A1 ENZYME INHIBITORS ACHE, MAOA, BACE1 P2RX7 2025/4885DPP4 372/4885CDK9 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.