SCHEMBL542026

SCHEMBL542026

O=C(c1cnc(N[C@@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)nc1C(F)(F)F)N1CCOCC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCR3 P51677 6/20 0.49
▸ CYP2D6 P10635 6/20 0.49
▸ JAK1 P23458 1/20 0.44
▸ LTA4H P09960 2/20 0.41
▸ CNR2 P34972 3/20 0.41
▸ OPRM1 P35372 1/20 0.41
▸ OPRD1 P41143 1/20 0.41
▸ OPRK1 P41145 1/20 0.41
▸ KCNH2 Q12809 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ CXCR4 P61073 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ ROCK2 O75116 1/20 0.40
▸ ARHGDIA P52565 1/20 0.40
▸ ROCK1 Q13464 1/20 0.40
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 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
SCHEMBL542027 1.00 CCR3 (0.49) CCR3CYP2D6JAK1LTA4HCNR2
SCHEMBL15397206 0.97 CCR3 (0.46) CCR3CYP2D6JAK1LTA4HCNR2
SCHEMBL541384 0.83 LRRK2 (0.45) CYP2D6CNR2CXCR4CYP2C19
SCHEMBL541383 0.83 LRRK2 (0.45) CYP2D6CNR2CXCR4CYP2C19
SCHEMBL10145297 0.81 CNR2 (0.49) CYP2D6CNR2CXCR4CYP3A4CYP2C9
SCHEMBL541575 0.80 LRRK2 (0.43) CYP2D6CNR2CXCR4CYP3A4CYP2C9
SCHEMBL541576 0.80 LRRK2 (0.43) CYP2D6CNR2CXCR4CYP3A4CYP2C9
SCHEMBL15397172 0.79 LRRK2 (0.44) CNR2CXCR4
SCHEMBL10146178 0.79 LRRK2 (0.47) CYP2D6CNR2CXCR4CYP3A4CYP2C9
SCHEMBL12796227 0.78 LRRK2 (0.48) CYP2D6CNR2CXCR4CYP2C19

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 8 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-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
US-20110053912-A1 PYRIMIDINE COMPOUND ASTELLAS PHARMA INC. (JP) 2011-03-03 — — 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 (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 CCR3 635/4885CYP2D6 1635/4885JAK1 1430/4885
US-20130310373-A1 PYRIMIDINE COMPOUND CNR2, CNR1, P2RY2 CCR3 480/4885CYP2D6 1294/4885JAK1 843/4885

“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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