SCHEMBL339203

SCHEMBL339203

NCc1cc2ncc(-c3cccnc3)n2cc1-c1ccc(Cl)cc1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 1/20 0.44
DYRK3 O43781 1/20 0.40
CCNA2 P20248 1/20 0.40
CDK2 P24941 1/20 0.40
CDK5 Q00535 1/20 0.40
DYRK1A Q13627 1/20 0.40
CDK5R1 Q15078 1/20 0.40
DYRK2 Q92630 1/20 0.40
DYRK1B Q9Y463 1/20 0.40
FYN P06241 3/20 0.39
GABRG2 P18507 1/20 0.39
GABRB3 P28472 1/20 0.39
GABRA3 P34903 1/20 0.39
ROS1 P08922 1/20 0.38
DPP4 P27487 6/20 0.38
DPP8 Q6V1X1 3/20 0.38
DPP9 Q86TI2 2/20 0.38
LMNA P02545 2/20 0.37
CYP1A2 P05177 2/20 0.37
CYP3A4 P08684 2/20 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
SCHEMBL339714 0.89 DPP4 (0.45) KDRDPP4DPP8DPP9CYP1A2
SCHEMBL339884 0.88 CYP3A4 (0.40) KDRFYNDPP4DPP8DPP9
SCHEMBL338630 0.84 DPP4 (0.45) KDRFYNDPP4DPP8DPP9
SCHEMBL338487 0.84 DPP4 (0.46) KDRGABRG2GABRB3GABRA3DPP4
SCHEMBL339141 0.83 DPP4 (0.43) FYNDPP4DPP8DPP9
SCHEMBL339336 0.82 DPP4 (0.43) FYNDPP4DPP8DPP9
SCHEMBL869021 0.80 DPP4 (0.45) DYRK1AFYNDPP4DPP8DPP9
SCHEMBL339824 0.79 RIPK2 (0.44) FYNDPP4DPP8DPP9TSHR
SCHEMBL8225073 0.79 FLT3 (0.46) KDRFYNGABRG2GABRB3GABRA3
SCHEMBL338576 0.79 DPP4 (0.40) DPP4DPP8DPP9LMNACYP1A2

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-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 KDR 3065/4885DYRK3 4709/4885CCNA2 2414/4885
US-20090253689-A1 Organic Compounds OAT, GPR119, OTC KDR 3065/4885DYRK3 4709/4885CCNA2 2414/4885

“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.