SCHEMBL10146178

SCHEMBL10146178

O=C(c1cnc(NC2CCCCC2)nc1C(F)(F)F)N1CCOCC1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 10/20 0.47
▸ AXL P30530 1/20 0.44
▸ TYRO3 Q06418 1/20 0.44
▸ MERTK Q12866 1/20 0.44
▸ SYK P43405 2/20 0.44
▸ BMPR1B O00238 1/20 0.43
▸ BMPR1A P36894 1/20 0.43
▸ TGFBR1 P36897 1/20 0.43
▸ ACVRL1 P37023 1/20 0.43
▸ ACVR1 Q04771 1/20 0.43
▸ CNR2 P34972 3/20 0.43
▸ CYP2D6 P10635 2/20 0.41
▸ CYP2C19 P33261 2/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CXCR4 P61073 1/20 0.41
▸ ULK1 O75385 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ MAPK8 P45983 1/20 0.41

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
SCHEMBL10145297 0.94 CNR2 (0.49) LRRK2AXLTYRO3MERTKCNR2
SCHEMBL12796227 0.90 LRRK2 (0.48) LRRK2TYRO3CNR2CYP2D6CYP2C19
SCHEMBL10145329 0.88 LRRK2 (0.44) LRRK2SYKCNR2CXCR4
SCHEMBL541575 0.86 LRRK2 (0.43) LRRK2SYKCNR2CYP2D6CYP2C19
SCHEMBL541576 0.86 LRRK2 (0.43) LRRK2SYKCNR2CYP2D6CYP2C19
SCHEMBL15397172 0.84 LRRK2 (0.44) LRRK2SYKCNR2CXCR4
SCHEMBL541384 0.83 LRRK2 (0.45) LRRK2CNR2CYP2D6CYP2C19CYP1A2
SCHEMBL541383 0.83 LRRK2 (0.45) LRRK2CNR2CYP2D6CYP2C19CYP1A2
SCHEMBL541736 0.81 LRRK2 (0.41) LRRK2CNR2CYP2D6CYP2C19CYP1A2
SCHEMBL541610 0.81 KDR (0.42) LRRK2SYKCNR2CYP2D6CYP2C19

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 7 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
EP-2415765-A1 PYRIMIDINE COMPOUND Astellas Pharma Inc. (JP) 2012-02-08 — — EP 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 LRRK2 1659/4885AXL 1938/4885TYRO3 1219/4885
US-20130310373-A1 PYRIMIDINE COMPOUND CNR2, CNR1, P2RY2 LRRK2 1707/4885AXL 1342/4885TYRO3 816/4885

“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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