SCHEMBL19664902

SCHEMBL19664902

O=C(O)N1CCn2nc(Br)nc2C1

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 3/20 0.32
DPP8 Q6V1X1 2/20 0.32
DPP7 Q9UHL4 2/20 0.32
TSHR P16473 1/20 0.30

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
SCHEMBL22092728 0.79 DPP4 (0.32) DPP4DPP8DPP7TSHR
SCHEMBL25410612 0.79 DPP4 (0.32) DPP4DPP8DPP7TSHR
SCHEMBL22981411 0.77 DPP4 (0.33) DPP4DPP8DPP7
SCHEMBL3131535 0.76 DPP4 (0.51) DPP4DPP8DPP7
SCHEMBL25428572 0.76 DPP4 (0.32) DPP4DPP8DPP7
SCHEMBL26003248 0.71 CYP2C19 (0.30)
SCHEMBL21410194 0.68 HDAC6 (0.42) TSHR
SCHEMBL26765948 0.68 GRM5 (0.46)
SCHEMBL16003822 0.67 KDM4E (0.36)
SCHEMBL26645617 0.67 CSNK1D (0.30)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10227362-B2 Anti-pulmonary tuberculosis nitroimidazole derivative MEDSHINE DISCOVERY INC. (CN) 2019-03-12 US disclosed
US-20180162878-A1 ANTI-PULMONARY TUBERCULOSIS NITROIMIDAZOLE DERIVATIVE MEDSHINE DISCOVERY INC. (CN) 2018-06-14 US disclosed
WO-2018089433-A1 PHENYL mTORC INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. (US) 2018-05-17 WO disclosed
EP-3252059-A1 ANTI-PULMONARY TUBERCULOSIS NITROIMIDAZOLE DERIVATIVE Medshine Discovery Inc. (CN) 2017-12-06 EP 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-20180162878-A1 ANTI-PULMONARY TUBERCULOSIS NITROIMIDAZOLE DERIVATIVE NDUFV1, NDUFV2, MT-ND4 DPP4 918/4885DPP8 1381/4885DPP7 1458/4885
US-10227362-B2 Anti-pulmonary tuberculosis nitroimidazole derivative NDUFV1, NDUFV2, MT-ND4 DPP4 918/4885DPP8 1381/4885DPP7 1458/4885

“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.