SCHEMBL3192298

SCHEMBL3192298

COc1ncc(C(N)=O)c(OC)n1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NNMT P40261 5/20 0.47
PLAU P00749 3/20 0.45
GSK3B P49841 1/20 0.43
SIRT6 Q8N6T7 1/20 0.40
POLB P06746 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
LDHA P00338 1/20 0.38
ROCK2 O75116 1/20 0.37
ROCK1 Q13464 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GLA P06280 1/20 0.37
GAA P10253 1/20 0.37
HPGD P15428 1/20 0.37
PARP1 P09874 2/20 0.37
MAPK8 P45983 1/20 0.36
MAPK10 P53779 1/20 0.36
SYK P43405 1/20 0.36
ACACB O00763 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
SCHEMBL2745323 0.84 TDP1 (0.51) PLAUPOLBTDP1KDM4EALDH1A1
SCHEMBL2745387 0.82 GAA (0.42) PLAUPOLBTDP1KDM4EALDH1A1
SCHEMBL3821847 0.82 PLAU (0.39) NNMTPLAUGSK3BPOLBTDP1
Lithium Ion SCHEMBL29595061 0.81 PLAU (0.39) NNMTPLAUPOLBTDP1ACACB
Lithium Ion SCHEMBL28621223 0.81 PLAU (0.39) NNMTPLAUPOLBTDP1ACACB
SCHEMBL30962568 0.81 NNMT (0.46) NNMTGSK3BSIRT6POLBTDP1
SCHEMBL30822721 0.80 PLAU (0.42) NNMTPLAUGSK3BPOLBTDP1
SCHEMBL29164644 0.80 PLAU (0.42) NNMTPLAUGSK3BPOLBTDP1
SCHEMBL26054583 0.79 PLAU (0.40) PLAUPOLBTDP1GAASYK
SCHEMBL25224808 0.78 NNMT (0.44) NNMTGSK3BPOLBTDP1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016160938-A1 N-(1,3-THIAZOL-2-YL)PYRIMIDINE-5-CARBOXAMIDES AS TRPV3 MODULATORS ABBVIE INC. (US) 2016-10-06 WO claimed
US-20100010035-A1 Novel Dual Action Receptors Antagonists (Dara) at the Ati and Eta Receptors TORRENT PHARMACEUTICALS LTD. (IN) 2010-01-14 US claimed
WO-2024140431-A1 COMPOUNDS COMPRISING HETEROARYL RINGS AND COMPOSITIONS AND METHODS THEREOF IONGEN THERAPEUTICS CO., LTD. (CN) 2024-07-04 WO disclosed
EP-3793565-B1 MCL-1 INHIBITORS GILEAD SCIENCES INC (US) 2022-01-05 EP disclosed
WO-2016160938-A1 N-(1,3-THIAZOL-2-YL)PYRIMIDINE-5-CARBOXAMIDES AS TRPV3 MODULATORS ABBVIE INC. (US) 2016-10-06 WO disclosed
US-20100010035-A1 Novel Dual Action Receptors Antagonists (Dara) at the Ati and Eta Receptors TORRENT PHARMACEUTICALS LTD. (IN) 2010-01-14 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 (1 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-20100010035-A1 Novel Dual Action Receptors Antagonists (Dara) at the Ati and Eta Receptors EDNRA, EDNRB, AGTR1 NNMT 2171/4885PLAU 2511/4885GSK3B 4124/4885

“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.