SCHEMBL3040874

SCHEMBL3040874

CC(C)(c1ccc(Br)cc1)c1cc[nH]n1

nearest known ligand 0.30

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.30
LMNA P02545 1/20 0.30
KMT2A Q03164 1/20 0.30
ESR1 P03372 1/20 0.30
CYP3A4 P08684 1/20 0.30
AR P10275 1/20 0.30
HPGD P15428 1/20 0.30
TSHR P16473 1/20 0.30
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 1/20 0.30
HTR6 P50406 1/20 0.30
ESRRG P62508 1/20 0.30
SLC6A3 Q01959 1/20 0.30
ESR2 Q92731 1/20 0.30
HSD17B10 Q99714 1/20 0.30
MAPT P10636 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30

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
SCHEMBL2766738 0.81 ALDH1A1 (0.41) SMN1; SMN2KMT2AESR1CYP3A4HPGD
SCHEMBL12312390 0.80 HPGD (0.31) HPGDTSHR
SCHEMBL27733507 0.75 ALDH1A1 (0.33)
SCHEMBL3953416 0.72 ESR1 (0.52) KMT2AESR1CYP3A4ARHPGD
SCHEMBL31497684 0.72 ESR1 (0.52) KMT2AESR1CYP3A4ARHPGD
SCHEMBL179489 0.71
SCHEMBL27536595 0.70
Ammonia Solution, Strong SCHEMBL22505596 0.69 HPGD (0.37) HPGDTSHR
SCHEMBL29798423 0.69 HPGD (0.37) HPGDTSHR
SCHEMBL1427038 0.67

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2393811-A1 4-AMINO-7,8-DIHYDROPYRIDO[4,3-D]PYRIMIDIN-5(6H)-ONE DERIVATIVES Pfizer Inc. (US) 2011-12-14 EP disclosed
WO-2010089686-A1 4-AMINO-7,8-DIHYDROPYRIDO[4,3-D]PYRIMIDIN-5(6H)-ONE DERIVATIVES PFIZER INC. (US) 2010-08-12 WO disclosed
US-20100197591-A1 4-AMINO-7,8-DIHYDROPYRIDO[4,3-d]PYRIMIDIN-5(6H)-ONE DERIVATIVES PFIZER INC 2010-08-05 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-20100197591-A1 4-AMINO-7,8-DIHYDROPYRIDO[4,3-d]PYRIMIDIN-5(6H)-ONE DERIVATIVES CDK7, DPYD, DHFR SMN1; SMN2 2217/4885LMNA 3838/4885KMT2A 3053/4885

“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.