SCHEMBL722778

SCHEMBL722778

CC(=O)NC1CCN(c2nc3cc(F)ccc3cc2[C@H](C)Nc2nc(C)nc(N)n2)CC1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 8/20 0.42
KRAS P01116 1/20 0.39
SOS1 Q07889 1/20 0.39
ADORA2B P29275 3/20 0.37
ADORA3 P0DMS8 1/20 0.37
ADORA2A P29274 1/20 0.37
GPR6 P46095 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
SCHEMBL715809 0.88 KRAS (0.40) OPRK1KRASSOS1ADORA2BGPR6
SCHEMBL718044 0.86 GPR6 (0.38) OPRK1KRASSOS1GPR6
SCHEMBL17530791 0.85 STK4 (0.40) OPRK1KRASSOS1
SCHEMBL717152 0.85 PIK3CD (0.40) OPRK1
SCHEMBL17530762 0.84 OPRK1 (0.40) OPRK1KRASSOS1ADORA2BADORA3
SCHEMBL17530839 0.82 OPRK1 (0.43) OPRK1
SCHEMBL716284 0.81 OPRK1 (0.41) OPRK1KRASSOS1ADORA2BADORA3
SCHEMBL716285 0.81 OPRK1 (0.41) OPRK1KRASSOS1ADORA2BADORA3
SCHEMBL717891 0.81 LRRK2 (0.39) KRASSOS1
SCHEMBL717892 0.81 LRRK2 (0.39) KRASSOS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2403847-B1 TRIAZINE DERIVATIVES AS KINASE INHIBITORS UCB BIOPHARMA SPRL (BE) 2016-03-02 EP claimed
US-8785628-B2 Triazine derivatives as kinase inhibitors UCB PHARMA, S.A. (BE) 2014-07-22 US claimed
EP-2403847-B1 TRIAZINE DERIVATIVES AS KINASE INHIBITORS UCB BIOPHARMA SPRL (BE) 2016-03-02 EP disclosed
US-8785628-B2 Triazine derivatives as kinase inhibitors UCB PHARMA, S.A. (BE) 2014-07-22 US disclosed
US-20120053167-A1 Triazine Derivatives as Kinase Inhibitors UCB PHARMA, S.A. (BE) 2012-03-01 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-20120053167-A1 Triazine Derivatives as Kinase Inhibitors MAP3K15, PI4KA, MAP3K20 OPRK1 416/4885KRAS 1087/4885SOS1 1414/4885

“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.