SCHEMBL16220548

SCHEMBL16220548

Bc1ccc2c(n1)CN(Cc1ccccc1)CC2

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.54
MEN1 O00255 2/20 0.54
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54
PNMT P11086 1/20 0.51
DHFR P00374 1/20 0.48
SIGMAR1 Q99720 4/20 0.45
DRD4 P21917 2/20 0.45
HTR2B P41595 2/20 0.45
TMEM97 Q5BJF2 2/20 0.45
ADRA2A P08913 1/20 0.45
ADRA2B P18089 1/20 0.45
HRH1 P35367 1/20 0.45
C5AR1 P21730 1/20 0.44
CHRM2 P08172 1/20 0.43
HTR1A P08908 1/20 0.43
CHRM3 P20309 1/20 0.43
ADRA1D P25100 1/20 0.43
HTR2C P28335 1/20 0.43
ADRA1A P35348 1/20 0.43

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
SCHEMBL16220609 0.89 MEN1 (0.61) KMT2AMEN1NPC1RAB9APNMT
SCHEMBL30474287 0.86 KMT2A (0.54) KMT2AMEN1NPC1RAB9APNMT
SCHEMBL16217181 0.84 PNMT (0.56) KMT2AMEN1NPC1RAB9APNMT
SCHEMBL30474228 0.84 PNMT (0.56) KMT2AMEN1NPC1RAB9APNMT
SCHEMBL30474206 0.83 KMT2A (0.54) KMT2AMEN1NPC1RAB9APNMT
SCHEMBL16217183 0.83 MEN1 (0.54) KMT2AMEN1NPC1RAB9APNMT
SCHEMBL19042312 0.82 MEN1 (0.51) KMT2AMEN1NPC1RAB9APNMT
SCHEMBL16217185 0.81 PNMT (0.52) KMT2AMEN1NPC1RAB9APNMT
SCHEMBL16210349 0.80 KMT2A (0.51) KMT2AMEN1NPC1RAB9APNMT
SCHEMBL30474092 0.79 MEN1 (0.50) KMT2AMEN1NPC1RAB9APNMT

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 8 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
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

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 KMT2A 1941/4885MEN1 3132/4885NPC1 4582/4885
US-20150353579-A1 Triazine Derivatives PDE12, PDE5A, PDE10A KMT2A 1941/4885MEN1 3132/4885NPC1 4582/4885
US-20150080401-A1 Triazine Derivatives PDE12, PDE5A, PDE10A KMT2A 1941/4885MEN1 3132/4885NPC1 4582/4885

“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.