SCHEMBL716736

SCHEMBL716736

Cc1nc(N)nc(NC(C)c2cc3ccc(F)c(C)c3nc2N2CCC(C(N)=O)CC2)n1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 9/20 0.41
POLB P06746 1/20 0.36
TDP1 Q9NUW8 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP2C9 P11712 1/20 0.35
EPHX2 P34913 1/20 0.35
TPH1 P17752 1/20 0.35
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35
RECQL P46063 1/20 0.35
NCOA1 Q15788 1/20 0.35
NCOA3 Q9Y6Q9 1/20 0.35
GPR6 P46095 3/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL716735 1.00 OPRK1 (0.41) OPRK1POLBTDP1KDM4EALDH1A1
SCHEMBL715483 0.89 OPRK1 (0.39) OPRK1TDP1KDM4EALDH1A1LMNA
SCHEMBL715482 0.89 OPRK1 (0.39) OPRK1TDP1KDM4EALDH1A1LMNA
SCHEMBL15875847 0.86 OPRK1 (0.40) OPRK1POLBTDP1KDM4EALDH1A1
SCHEMBL713421 0.86 OPRK1 (0.40) OPRK1POLBTDP1KDM4EALDH1A1
SCHEMBL716285 0.85 OPRK1 (0.41) OPRK1
SCHEMBL716284 0.85 OPRK1 (0.41) OPRK1
SCHEMBL715385 0.85 OPRK1 (0.43) OPRK1TDP1KDM4EALDH1A1GPR6
SCHEMBL717163 0.85 HRH4 (0.41) OPRK1
SCHEMBL15875828 0.85 HRH4 (0.41) OPRK1

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 416/4885POLB 1878/4885TDP1 718/4885

“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.