SCHEMBL12796705

SCHEMBL12796705

COCCNCc1cnc(NC23CC4CC(CC(C4)C2)C3)nc1C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 4/20 0.38
▸ ALDH1A1 P00352 4/20 0.38
▸ LMNA P02545 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ ATM Q13315 1/20 0.37
▸ HDAC3 O15379 1/20 0.37
▸ HDAC1 Q13547 1/20 0.37
▸ HDAC2 Q92769 1/20 0.37
▸ HDAC6 Q9UBN7 1/20 0.37
▸ GABBR2 O75899 1/20 0.36
▸ GABBR1 Q9UBS5 1/20 0.36
▸ CYP1A2 P05177 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ GAA P10253 2/20 0.35
▸ TP53 P04637 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35

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
SCHEMBL15397216 0.93 CYP1A2 (0.35) TSHRALDH1A1LMNAL3MBTL1ATM
SCHEMBL10146173 0.86 HDAC6 (0.39) TSHRALDH1A1LMNAL3MBTL1HDAC3
SCHEMBL10145805 0.84 ALDH1A1 (0.37) TSHRALDH1A1LMNAL3MBTL1HDAC3
SCHEMBL15397215 0.80 HDAC3 (0.34) HDAC3HDAC1HDAC2HDAC6GABBR2
SCHEMBL12796701 0.79 L3MBTL1 (0.39) TSHRALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL10145250 0.79 HDAC3 (0.44) TSHRALDH1A1LMNAL3MBTL1HDAC3
SCHEMBL542037 0.79 HDAC3 (0.41) TSHRALDH1A1LMNAL3MBTL1HDAC3
SCHEMBL15397222 0.78 ALDH1A1 (0.32) TSHRALDH1A1LMNAL3MBTL1GABBR2
SCHEMBL10145915 0.78 CNR2 (0.44) HDAC3HDAC1HDAC2HDAC6CYP1A2
SCHEMBL12796711 0.77 TYRO3 (0.44) TSHRALDH1A1LMNAL3MBTL1HDAC3

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
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
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 (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-20110053912-A1 PYRIMIDINE COMPOUND CNR2, CNR1, P2RY2 TSHR 1392/4885ALDH1A1 3897/4885LMNA 4300/4885

“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.

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