SCHEMBL16210658

SCHEMBL16210658

Cc1nc(Cl)c2c(n1)CCN(C(=O)OCc1ccccc1)C2

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TMEM97 Q5BJF2 4/20 0.52
SIGMAR1 Q99720 4/20 0.52
DHFR P00374 1/20 0.51
PTGDR2 Q9Y5Y4 13/20 0.49
KDR P35968 1/20 0.47
GABRA5 P31644 1/20 0.47

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
SCHEMBL16210333 0.90 TMEM97 (0.53) TMEM97SIGMAR1DHFRPTGDR2KDR
SCHEMBL16210173 0.89 TMEM97 (0.52) TMEM97SIGMAR1DHFRPTGDR2KDR
SCHEMBL16379829 0.88 DHFR (0.50) TMEM97SIGMAR1DHFRPTGDR2KDR
SCHEMBL16220574 0.88 DHFR (0.50) TMEM97SIGMAR1DHFRPTGDR2KDR
SCHEMBL3338693 0.87 TMEM97 (0.48) TMEM97SIGMAR1DHFRPTGDR2KDR
SCHEMBL16217180 0.87 TMEM97 (0.50) TMEM97SIGMAR1DHFRPTGDR2KDR
SCHEMBL16210567 0.85 DHFR (0.48) TMEM97SIGMAR1DHFRPTGDR2KDR
SCHEMBL16210500 0.83 PTGDR2 (0.49) TMEM97SIGMAR1DHFRPTGDR2KDR
SCHEMBL30902147 0.83 PTGDR2 (0.51) TMEM97SIGMAR1DHFRPTGDR2
SCHEMBL1831787 0.82 MEN1 (0.50) TMEM97SIGMAR1DHFRPTGDR2KDR

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 13 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-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-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-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-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-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
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 TMEM97 3393/4885SIGMAR1 573/4885DHFR 388/4885
US-20150353579-A1 Triazine Derivatives PDE12, PDE5A, PDE10A TMEM97 3393/4885SIGMAR1 573/4885DHFR 388/4885
US-20150080401-A1 Triazine Derivatives PDE12, PDE5A, PDE10A TMEM97 3393/4885SIGMAR1 573/4885DHFR 388/4885

“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.