SCHEMBL339424

SCHEMBL339424

NCc1cc2ncc(N3CCNCC3)n2cc1-c1ccc(Cl)cc1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 8/20 0.43
INPPL1 O15357 1/20 0.37
ADRB2 P07550 1/20 0.37
NCF1 P14598 1/20 0.37
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
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 3/20 0.35
HTR3A P46098 3/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
HTR1A P08908 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35

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
SCHEMBL340037 0.90 DPP4 (0.39) DPP4DPP8
SCHEMBL340176 0.90 DPP4 (0.38) DPP4HTR2AHTR2CHTR3ACYP1A2
SCHEMBL339764 0.90 DPP4 (0.40) DPP4INPPL1ADRB2NCF1HTR2C
SCHEMBL1913178 0.90 PAK3 (0.41) DPP4INPPL1ADRB2NCF1HTR2A
SCHEMBL339127 0.88 DPP4 (0.43) DPP4DPP8CYP1A2CYP3A4CYP2D6
SCHEMBL338785 0.88 DPP4 (0.39) DPP4NCF1PAK4PAK1PKN1
SCHEMBL339235 0.88 DPP4 (0.43) DPP4DPP8CYP1A2CYP3A4
SCHEMBL340165 0.86 DPP4 (0.42) DPP4PAK3PAK4LIMK1LIMK2
SCHEMBL1911441 0.86 DPP4 (0.33) DPP4DPP8CYP1A2CYP3A4
SCHEMBL1911442 0.86 DPP4 (0.34) DPP4DPP8CYP1A2CYP3A4

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
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

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 120/4885INPPL1 3294/4885ADRB2 896/4885
US-20090253689-A1 Organic Compounds OAT, GPR119, OTC DPP4 120/4885INPPL1 3294/4885ADRB2 896/4885

“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.