SCHEMBL9109529

SCHEMBL9109529

CN(C)c1[c]c(N(C)C)nc(Cc2ccccc2)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 3/20 0.44
L3MBTL1 Q9Y468 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ALDH1A1 P00352 2/20 0.40
CALM1 P0DP23 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
PDE2A O00408 1/20 0.39
TSHR P16473 2/20 0.38
NPC1 O15118 1/20 0.37
MAPK1 P28482 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
HTR6 P50406 1/20 0.37
HRH4 Q9H3N8 1/20 0.37

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
SCHEMBL2614741 0.75 CALM1 (0.61) L3MBTL1MEN1KMT2AALDH1A1CALM1
SCHEMBL14163912 0.70 TP53 (0.50) HTR2CL3MBTL1MEN1KMT2AALDH1A1
SCHEMBL17358224 0.70 L3MBTL1 (0.49) L3MBTL1MEN1KMT2AALDH1A1CALM1
SCHEMBL4263063 0.69 SMN1; SMN2 (0.49) HTR2CL3MBTL1MEN1KMT2AALDH1A1
SCHEMBL17548980 0.68 ALDH1A1 (0.47) L3MBTL1MEN1KMT2AALDH1A1CALM1
SCHEMBL9416867 0.68 L3MBTL1 (0.53) HTR2CL3MBTL1KMT2AALDH1A1TSHR
SCHEMBL27936593 0.66 CALM1 (0.48) HTR2CL3MBTL1MEN1KMT2AALDH1A1
SCHEMBL1390574 0.66 CALM1 (0.48) L3MBTL1MEN1KMT2AALDH1A1CALM1
SCHEMBL3416553 0.66 HTR6 (0.57) L3MBTL1MEN1KMT2ACALM1CYP1A2
SCHEMBL8649626 0.66 CALM1 (0.48) HTR2CL3MBTL1MEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120142715-A1 POLYMORPH OF [4,6-BIS(DIMETHYLAMINO)-2-(4-BENZYL)PYRIMIDIN-5-YL] BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-07 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 (1 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-20120142715-A1 POLYMORPH OF [4,6-BIS(DIMETHYLAMINO)-2-(4-BENZYL)PYRIMIDIN-5-YL] NR1H2, NR3C2, MDH1 HTR2C 1268/4885L3MBTL1 2931/4885MEN1 3923/4885

“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.