SCHEMBL12797609

SCHEMBL12797609

CNCc1cc2c(s1)CCC2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 2/20 0.49
POLB P06746 4/20 0.47
ALDH1A1 P00352 7/20 0.42
PKM P14618 1/20 0.42
DAO P14920 1/20 0.41
CYP1A2 P05177 3/20 0.40
CYP2C19 P33261 3/20 0.40
CYP2C9 P11712 1/20 0.40
ADRB2 P07550 1/20 0.40
CYP2A6 P11509 1/20 0.40
MEN1 O00255 1/20 0.39
CYP3A4 P08684 1/20 0.39
GAA P10253 1/20 0.39
KMT2A Q03164 1/20 0.39
ADRA2A P08913 1/20 0.39
ADRA2B P18089 1/20 0.39
ADRA2C P18825 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
HPGD P15428 3/20 0.38
TP53 P04637 2/20 0.38

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
SCHEMBL10158642 0.79 POLB (0.51) ADRA1DPOLBALDH1A1PKMDAO
SCHEMBL8000759 0.75 POLB (0.56) ADRA1DPOLBALDH1A1PKMDAO
SCHEMBL26858055 0.75 POLB (0.51) ADRA1DPOLBALDH1A1PKMDAO
SCHEMBL3551196 0.75 POLB (0.56) ADRA1DPOLBALDH1A1PKMDAO
SCHEMBL11987816 0.73 POLB (0.59) ADRA1DPOLBALDH1A1PKMDAO
SCHEMBL11987826 0.73 POLB (0.59) ADRA1DPOLBALDH1A1PKMDAO
SCHEMBL16519854 0.72 POLB (0.53) ADRA1DPOLBALDH1A1PKMDAO
SCHEMBL16423060 0.71 POLB (0.56) ADRA1DPOLBALDH1A1PKMDAO
SCHEMBL11237572 0.71 POLB (0.61) ADRA1DPOLBALDH1A1PKMDAO
SCHEMBL16673447 0.70 POLB (0.51) ADRA1DPOLBALDH1A1PKMDAO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130310373-A1 PYRIMIDINE COMPOUND ASTELLAS PHARMA INC. (JP) 2013-11-21 US disclosed
US-8524727-B2 Pyrimidine compound ASTELLAS PHARMA INC. (JP) 2013-09-03 US disclosed
US-8524727-B2 Pyrimidine compound ASTELLAS PHARMA INC. (JP) 2013-09-03 US disclosed
US-20110053912-A1 PYRIMIDINE COMPOUND ASTELLAS PHARMA INC. (JP) 2011-03-03 US disclosed
US-20110053912-A1 PYRIMIDINE COMPOUND ASTELLAS PHARMA INC. (JP) 2011-03-03 US disclosed
WO-2010113834-A1 PYRIMIDINE COMPOUND アステラス製薬株式会社 (JP) 2010-10-07 WO 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 (2 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-20110053912-A1 PYRIMIDINE COMPOUND CNR2, CNR1, P2RY2 ADRA1D 536/4885POLB 2772/4885ALDH1A1 3897/4885
US-20130310373-A1 PYRIMIDINE COMPOUND CNR2, CNR1, P2RY2 ADRA1D 444/4885POLB 2228/4885ALDH1A1 4050/4885

“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.