SCHEMBL16211237

SCHEMBL16211237

C=CCc1nc(O)c2c(n1)CCN(C(=O)OCc1ccccc1)C2

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DHFR P00374 1/20 0.48
TMEM97 Q5BJF2 3/20 0.46
SIGMAR1 Q99720 3/20 0.46
PTGDR2 Q9Y5Y4 14/20 0.46
KDR P35968 1/20 0.44
GABRA5 P31644 1/20 0.44

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
SCHEMBL16221363 0.83 DHFR (0.51) DHFRTMEM97SIGMAR1PTGDR2KDR
SCHEMBL16210173 0.83 TMEM97 (0.52) DHFRTMEM97SIGMAR1PTGDR2KDR
SCHEMBL16379833 0.83 DHFR (0.51) DHFRTMEM97SIGMAR1PTGDR2KDR
SCHEMBL3340495 0.80 TMEM97 (0.49) DHFRTMEM97SIGMAR1PTGDR2KDR
SCHEMBL16220576 0.76 DHFR (0.53) DHFRTMEM97SIGMAR1PTGDR2KDR
SCHEMBL17327930 0.75 DHFR (0.52) DHFRTMEM97SIGMAR1PTGDR2KDR
SCHEMBL16210333 0.75 TMEM97 (0.53) DHFRTMEM97SIGMAR1PTGDR2KDR
SCHEMBL16210658 0.74 TMEM97 (0.52) DHFRTMEM97SIGMAR1PTGDR2KDR
SCHEMBL183613 0.74 PDE10A (0.44)
SCHEMBL16379829 0.74 DHFR (0.50) DHFRTMEM97SIGMAR1PTGDR2KDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2991989-B1 IMIDAZO-TRIAZINE DERIVATIVES AS PDE10 INHIBITORS PFIZER (US) 2017-06-28 EP disclosed
US-9296761-B2 Triazine derivatives PFIZER INC. (US) 2016-03-29 US disclosed
US-20150353579-A1 Triazine Derivatives PFIZER (US) 2015-12-10 US disclosed
US-9145427-B2 Triazine derivatives PFIZER INC. (US) 2015-09-29 US disclosed
US-20150080401-A1 Triazine Derivatives PFIZER (US) 2015-03-19 US disclosed
US-8933224-B2 Triazine derivatives PFIZER INC. (US) 2015-01-13 US disclosed
US-20140329820-A1 Triazine Derivatives PFIZER INC. (US) 2014-11-06 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 (3 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-20140329820-A1 Triazine Derivatives PDE12, PDE5A, PDE10A DHFR 388/4885TMEM97 3393/4885SIGMAR1 573/4885
US-20150353579-A1 Triazine Derivatives PDE12, PDE5A, PDE10A DHFR 388/4885TMEM97 3393/4885SIGMAR1 573/4885
US-20150080401-A1 Triazine Derivatives PDE12, PDE5A, PDE10A DHFR 388/4885TMEM97 3393/4885SIGMAR1 573/4885

“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.