SCHEMBL16210656

SCHEMBL16210656

O=C(OCc1ccccc1)N1CCn2ncc(C(F)(F)F)c2C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGDR2 Q9Y5Y4 6/20 0.46
▸ MEN1 O00255 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ F13A1 P00488 1/20 0.43
▸ TGM2 P21980 1/20 0.43
▸ TGM1 P22735 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ PDK1 Q15118 1/20 0.41
▸ PDK2 Q15119 1/20 0.41
▸ PDK3 Q15120 1/20 0.41
▸ PDK4 Q16654 1/20 0.41
▸ F2 P00734 1/20 0.41
▸ F12 P00748 1/20 0.41
▸ TMEM97 Q5BJF2 4/20 0.40
▸ SIGMAR1 Q99720 4/20 0.40
▸ FNTA P49354 1/20 0.40

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
SCHEMBL23778959 0.83 MEN1 (0.48) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL16217176 0.83 MEN1 (0.48) PTGDR2MEN1KMT2ANPSR1SMN1; SMN2
SCHEMBL16379679 0.83 MEN1 (0.48) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL31173483 0.83 MEN1 (0.48) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL16220591 0.83 MEN1 (0.48) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL31173444 0.81 MEN1 (0.46) PTGDR2MEN1KMT2ANPSR1SMN1; SMN2
SCHEMBL29308600 0.78 MEN1 (0.43) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL31173554 0.76 TMEM97 (0.39) PTGDR2MEN1KMT2ANPSR1SMN1; SMN2
SCHEMBL16210849 0.76 MEN1 (0.45) PTGDR2MEN1KMT2ANPSR1SMN1; SMN2
SCHEMBL16129751 0.75 TACR1 (0.41) MEN1KMT2ASMN1; SMN2SIGMAR1HTR2A

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 17 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
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
EP-2991989-A1 IMIDAZO-TRIAZINE DERIVATIVES AS PDE10 INHIBITORS Pfizer Inc. (US) 2016-03-09 — — EP 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
WO-2014177977-A1 IMIDAZO-TRIAZINE DERIVATIVES AS PDE10 INHIBITORS PFIZER INC. (US) 2014-11-06 — — WO disclosed
WO-2014177977-A1 IMIDAZO-TRIAZINE DERIVATIVES AS PDE10 INHIBITORS PFIZER INC. (US) 2014-11-06 — — WO 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 PTGDR2 320/4885MEN1 3132/4885KMT2A 1941/4885
US-20150353579-A1 Triazine Derivatives PDE12, PDE5A, PDE10A PTGDR2 320/4885MEN1 3132/4885KMT2A 1941/4885
US-20150080401-A1 Triazine Derivatives PDE12, PDE5A, PDE10A PTGDR2 320/4885MEN1 3132/4885KMT2A 1941/4885

“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.

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