SCHEMBL22209331

SCHEMBL22209331

CCCc1ccccccc(N)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 6/20 0.71
MAOA P21397 4/20 0.71
CYP19A1 P11511 1/20 0.55
GFER P55789 1/20 0.54
HTR2A P28223 2/20 0.50
CYP2A6 P11509 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
TAAR1 Q96RJ0 1/20 0.50
LOXL2 Q9Y4K0 1/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
TSHR P16473 1/20 0.48
SIGMAR1 Q99720 2/20 0.47
CHRM2 P08172 1/20 0.44
HTR1A P08908 1/20 0.44
ADRA2A P08913 1/20 0.44
CHRM1 P11229 1/20 0.44
DRD1 P21728 1/20 0.44
SLC6A2 P23975 1/20 0.44
SLC6A4 P31645 1/20 0.44

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
Aniline SCHEMBL8828009 0.96 MAOB (0.62) MAOBMAOACYP19A1GFERHTR2A
Aniline SCHEMBL27621609 0.93 MAOB (0.60) MAOBMAOACYP19A1GFERHTR2A
SCHEMBL5962 0.89 GFER (0.68) MAOBMAOACYP19A1GFERHTR2A
SCHEMBL29155827 0.86 GFER (0.65) MAOBMAOACYP19A1GFERHTR2A
4-Bromoaniline SCHEMBL8828005 0.86 MAOB (0.57) MAOBMAOACYP19A1GFERHTR2A
Benzenethiol SCHEMBL27943318 0.86 MAOB (0.57) MAOBMAOACYP19A1GFERHTR2A
Ethylamine SCHEMBL27859952 0.84 GFER (0.62) MAOBMAOACYP19A1GFERHTR2A
Methylamine SCHEMBL9350485 0.84 TAAR1 (0.55) MAOBMAOAHTR2ACYP2A6SMN1; SMN2
SCHEMBL4082319 0.84 MAOB (1.00) MAOBMAOACYP19A1GFERHTR2A
SCHEMBL6546791 0.84 MAOA (0.56) MAOBMAOAHTR2ACYP2A6SMN1; SMN2

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-10710983-B2 2,4-diamino-pyrimidine compounds and method for making and using the compounds RIGEL PHARMACEUTICALS, INC. (US) 2020-07-14 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-10710983-B2 2,4-diamino-pyrimidine compounds and method for making and using the compounds IRAK4, IRAK1, IRAK2 MAOB 2503/4885MAOA 3297/4885CYP19A1 3225/4885

“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.