SCHEMBL340150

SCHEMBL340150

CC(C)CNc1c(CN)c(-c2ccc(Cl)cc2Cl)cn2c(N3CCNCC3)cnc12

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 16/20 0.43
HRH4 Q9H3N8 2/20 0.39
PAK3 O75914 1/20 0.36
PAK4 O96013 1/20 0.36
LIMK1 P53667 1/20 0.36
LIMK2 P53671 1/20 0.36
PAK1 Q13153 1/20 0.36
PAK2 Q13177 1/20 0.36
PKN1 Q16512 1/20 0.36
DPP8 Q6V1X1 10/20 0.35
DPP9 Q86TI2 5/20 0.33
SOS1 Q07889 1/20 0.33

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
SCHEMBL338993 0.90 DPP4 (0.43) DPP4DPP8DPP9
SCHEMBL338673 0.90 DPP4 (0.43) DPP4DPP8DPP9
SCHEMBL1911464 0.88 DPP4 (0.35) DPP4DPP8DPP9
SCHEMBL338626 0.80 DPP4 (0.45) DPP4DPP8DPP9
SCHEMBL339960 0.79 DPP4 (0.44) DPP4DPP8DPP9SOS1
SCHEMBL339026 0.78 DPP4 (0.46) DPP4DPP8DPP9
SCHEMBL338998 0.76 PIK3CA (0.41) DPP4SOS1
SCHEMBL338266 0.74 DPP4 (0.44) DPP4DPP8
SCHEMBL1912415 0.74 CRHR1 (0.36) DPP4DPP8DPP9
SCHEMBL339388 0.73 DPP4 (0.43) DPP4DPP8DPP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120077787-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2012-03-29 US disclosed
US-20120077787-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2012-03-29 US disclosed
US-20120077787-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2012-03-29 US disclosed
US-8097617-B2 Organic compounds NOVARTIS AG (CH) 2012-01-17 US disclosed
US-8097617-B2 Organic compounds NOVARTIS AG (CH) 2012-01-17 US disclosed
US-8097617-B2 Organic compounds NOVARTIS AG (CH) 2012-01-17 US disclosed
US-20090253689-A1 Organic Compounds NOVARTIS AG (CH) 2009-10-08 US disclosed
US-20090253689-A1 Organic Compounds NOVARTIS AG (CH) 2009-10-08 US disclosed
US-20090253689-A1 Organic Compounds NOVARTIS AG (CH) 2009-10-08 US disclosed
WO-2007113226-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2007-10-11 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-20120077787-A1 ORGANIC COMPOUNDS OAT, GPR119, OTC DPP4 120/4885HRH4 2744/4885PAK3 4762/4885
US-20090253689-A1 Organic Compounds OAT, GPR119, OTC DPP4 120/4885HRH4 2744/4885PAK3 4762/4885

“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.