SCHEMBL340329

SCHEMBL340329

NCc1cc2ncc(C(=O)N3CCN(c4ncccn4)CC3)n2cc1-c1ccc(Cl)cc1Cl

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.45
MAPT P10636 2/20 0.45
SLC6A7 Q99884 3/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
SLC6A3 Q01959 1/20 0.42
HSD17B10 Q99714 2/20 0.41
LMNA P02545 2/20 0.40
EPHX2 P34913 1/20 0.40
POLB P06746 1/20 0.40
PTGS1 P23219 1/20 0.40
PTGS2 P35354 1/20 0.40
PKM P14618 1/20 0.39
DPP4 P27487 1/20 0.39
DPP8 Q6V1X1 1/20 0.39
GAA P10253 2/20 0.39
MAPK1 P28482 1/20 0.39
NPC1 O15118 1/20 0.38
TSHR P16473 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
SCHEMBL340061 0.91 KDM4E (0.47) KDM4EMAPTSLC6A7MEN1KMT2A
SCHEMBL339827 0.87 DPP4 (0.43) MEN1KMT2ALMNADPP4DPP8
SCHEMBL339904 0.87 ALPL (0.46) MEN1KMT2ALMNAPOLBDPP4
SCHEMBL339937 0.87 HSD17B10 (0.41) KDM4EMAPTSLC6A7HSD17B10LMNA
SCHEMBL340135 0.86 DPP4 (0.42) DPP4DPP8TSHR
SCHEMBL338672 0.85 DPP4 (0.49) KDM4EMAPTMEN1KMT2ALMNA
SCHEMBL339770 0.85 PIK3CA (0.44) MEN1KMT2ADPP4DPP8NPC1
SCHEMBL339964 0.85 DPP4 (0.41) MEN1KMT2AHSD17B10DPP4DPP8
SCHEMBL340178 0.85 DPP4 (0.42) MEN1KMT2ADPP4DPP8NPC1
SCHEMBL1911458 0.85 DPP4 (0.41) MEN1KMT2ADPP4DPP8NPC1

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 KDM4E 3759/4885MAPT 2167/4885SLC6A7 2048/4885
US-20090253689-A1 Organic Compounds OAT, GPR119, OTC KDM4E 3759/4885MAPT 2167/4885SLC6A7 2048/4885

“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.