SCHEMBL20249482

SCHEMBL20249482

CC(C)(C)c1ccc(CN2CCN(CCCO)CC2)cn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.45
ALDH1A1 P00352 3/20 0.45
GAA P10253 2/20 0.44
LMNA P02545 1/20 0.44
POLB P06746 1/20 0.44
THRB P10828 1/20 0.44
HPGD P15428 1/20 0.44
TSHR P16473 1/20 0.44
PPARD Q03181 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
NPC1 O15118 1/20 0.42
TP53 P04637 1/20 0.42
RAB9A P51151 1/20 0.42
ATM Q13315 1/20 0.41
RET P07949 1/20 0.41
CSF1R P07333 1/20 0.39
FLT3 P36888 1/20 0.39
PKM P14618 1/20 0.39
ACHE P22303 1/20 0.39

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
SCHEMBL20249252 0.92 ALDH1A1 (0.52) HRH3ALDH1A1GAALMNAPOLB
SCHEMBL20249515 0.88 ALDH1A1 (0.49) HRH3ALDH1A1GAALMNAPOLB
SCHEMBL20249144 0.85 PPARD (0.43) HRH3ALDH1A1GAALMNAPOLB
SCHEMBL10223577 0.84 LMNA (0.50) ALDH1A1LMNAHPGDPPARDNPC1
SCHEMBL20249171 0.83 PPARD (0.45) HRH3ALDH1A1GAALMNAPOLB
SCHEMBL18291306 0.82 HRH3 (0.48) HRH3ALDH1A1GAALMNAPOLB
SCHEMBL20249372 0.82 PPARD (0.49) ALDH1A1TSHRPPARDMEN1KMT2A
SCHEMBL18713020 0.81 ALDH1A1 (0.56) ALDH1A1LMNAPOLBTSHRPPARD
SCHEMBL12673217 0.81 HRH3 (0.50) HRH3ALDH1A1PPARDKDM4E
SCHEMBL20249334 0.81 PPARD (0.45) HRH3ALDH1A1LMNAPOLBPPARD

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-20180161329-A1 PYRIDO[3,4-D]PYRIMIDINE DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF TEIJIN PHARMA LIMITED (JP) 2018-06-14 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-20180161329-A1 PYRIDO[3,4-D]PYRIMIDINE DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF CDK4, CDK6, CDK16 HRH3 2304/4885ALDH1A1 944/4885GAA 2747/4885

“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.