SCHEMBL16210573

SCHEMBL16210573

c1nc(C2CC2)nc2c1CNCC2

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
HTR2C P28335 16/20 0.45
HTR2B P41595 12/20 0.45
HTR2A P28223 8/20 0.45
CYP3A4 P08684 1/20 0.37
CHRM4 P08173 1/20 0.36
CHRM5 P08912 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
HTR3A P46098 1/20 0.36
HTR6 P50406 1/20 0.36
HDAC9 Q9UKV0 2/20 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
Hydrochloric Acid SCHEMBL21003025 0.98 POLB (0.47) POLBSMN1; SMN2HTR2CHTR2BHTR2A
SCHEMBL1528578 0.84 HTR2C (0.34) POLBSMN1; SMN2HTR2CHTR2BHTR2A
Hydrochloric Acid SCHEMBL16060483 0.83 HTR2C (0.33) POLBSMN1; SMN2HTR2CHTR2BHTR2A
Hydrochloric Acid SCHEMBL31598020 0.79 HTR2C (0.45) POLBSMN1; SMN2HTR2CHTR2BHTR2A
SCHEMBL12878847 0.74 POLB (0.51) POLBSMN1; SMN2HTR2CHTR2BHTR2A
SCHEMBL4135011 0.74 POLB (0.51) POLBSMN1; SMN2HTR2CHTR2BHTR2A
SCHEMBL2449506 0.74 POLB (0.51) POLBSMN1; SMN2HTR2CHTR2BHTR2A
SCHEMBL2183634 0.74 POLB (0.51) POLBSMN1; SMN2HTR2CHTR2BHTR2A
SCHEMBL30790976 0.74 POLB (0.51) POLBSMN1; SMN2HTR2CHTR2BHTR2A
SCHEMBL25574537 0.74 POLB (0.51) POLBSMN1; SMN2HTR2CHTR2BHTR2A

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240018120-A1 MAGL INHIBITORS H. LUNDBECK A/S (DK) 2024-01-18 US disclosed
US-20220153721-A1 MAGL INHIBITORS H. LUNDBECK A/S (DK) 2022-05-19 US disclosed
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
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-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-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
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
US-20140329820-A1 Triazine Derivatives PFIZER INC. (US) 2014-11-06 US disclosed
WO-2014177977-A1 IMIDAZO-TRIAZINE DERIVATIVES AS PDE10 INHIBITORS PFIZER INC. (US) 2014-11-06 WO 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 (5 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 POLB 2008/4885SMN1; SMN2 4124/4885HTR2C 871/4885
US-20240018120-A1 MAGL INHIBITORS MAG, MAGI3, MAGT1 POLB 3448/4885SMN1; SMN2 803/4885HTR2C 3902/4885
US-20150353579-A1 Triazine Derivatives PDE12, PDE5A, PDE10A POLB 2008/4885SMN1; SMN2 4124/4885HTR2C 871/4885
US-20220153721-A1 MAGL INHIBITORS MAG, MAGI3, MAGT1 POLB 3448/4885SMN1; SMN2 803/4885HTR2C 3902/4885
US-20150080401-A1 Triazine Derivatives PDE12, PDE5A, PDE10A POLB 2008/4885SMN1; SMN2 4124/4885HTR2C 871/4885

“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.