SCHEMBL339937

SCHEMBL339937

NCc1cc2ncc(C(=O)N3CCN(c4cnccn4)CC3)n2cc1-c1ccc(Cl)cc1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.41
SLC6A7 Q99884 1/20 0.39
GRM5 P41594 1/20 0.39
DPP4 P27487 3/20 0.38
DPP8 Q6V1X1 2/20 0.38
EPHX2 P34913 1/20 0.38
P2RX7 Q99572 2/20 0.37
KDM4E B2RXH2 4/20 0.36
ALDH1A1 P00352 4/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
SLC2A1 P11166 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
TSHR P16473 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
DPP9 Q86TI2 1/20 0.36
PKM P14618 1/20 0.36

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
SCHEMBL340329 0.87 KDM4E (0.45) HSD17B10SLC6A7DPP4DPP8EPHX2
SCHEMBL339904 0.85 ALPL (0.46) DPP4DPP8ALDH1A1LMNATSHR
SCHEMBL339827 0.85 DPP4 (0.43) DPP4DPP8SLC2A1LMNATSHR
SCHEMBL340135 0.84 DPP4 (0.42) DPP4DPP8SLC2A1TSHRDPP9
SCHEMBL338672 0.83 DPP4 (0.49) DPP4DPP8KDM4EALDH1A1CYP1A2
SCHEMBL339770 0.83 PIK3CA (0.44) DPP4DPP8DPP9
SCHEMBL339964 0.83 DPP4 (0.41) HSD17B10DPP4DPP8ALDH1A1SMN1; SMN2
SCHEMBL339887 0.83 DPP4 (0.41) HSD17B10GRM5DPP4DPP8CYP2C9
SCHEMBL340178 0.83 DPP4 (0.42) DPP4DPP8SLC2A1DPP9
SCHEMBL1911458 0.83 DPP4 (0.41) DPP4DPP8SMN1; SMN2DPP9

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 HSD17B10 213/4885SLC6A7 2048/4885GRM5 2618/4885
US-20090253689-A1 Organic Compounds OAT, GPR119, OTC HSD17B10 213/4885SLC6A7 2048/4885GRM5 2618/4885

“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.