SCHEMBL718044

SCHEMBL718044

CC(=O)N1CCN(c2nc3cc(F)ccc3cc2[C@H](C)Nc2nc(C)nc(N)n2)CC1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GPR6 P46095 7/20 0.38
TRPV1 Q8NER1 2/20 0.38
PIK3CD O00329 6/20 0.37
NPY5R Q15761 1/20 0.36
P2RX3 P56373 2/20 0.36
OPRK1 P41145 1/20 0.36
KRAS P01116 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
SOS1 Q07889 1/20 0.36
KCNH2 Q12809 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
SCHEMBL717152 0.88 PIK3CD (0.40) PIK3CDNPY5ROPRK1
SCHEMBL715221 0.88 KIT (0.39) GPR6TRPV1PIK3CDP2RX3KRAS
SCHEMBL722778 0.86 OPRK1 (0.42) GPR6OPRK1KRASSOS1
SCHEMBL17530805 0.84 CLK1 (0.38) GPR6TRPV1PIK3CDNPY5RP2RX3
SCHEMBL2115753 0.81 AKT1 (0.41) GPR6TRPV1PIK3CD
SCHEMBL714861 0.80 PIK3CD (0.42) PIK3CDNPY5RP2RX3
SCHEMBL714860 0.80 PIK3CD (0.42) PIK3CDNPY5RP2RX3
SCHEMBL17530778 0.78 ALDH1A1 (0.37) TRPV1OPRK1KRASSOS1
SCHEMBL717269 0.77 PIK3CD (0.41) PIK3CDNPY5RP2RX3
SCHEMBL717268 0.77 PIK3CD (0.41) PIK3CDNPY5RP2RX3

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 GPR6 2471/4885TRPV1 247/4885PIK3CD 12/4885

“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.