SCHEMBL3383218

SCHEMBL3383218

O=C(c1cnc(Nc2ccccc2)nc1C(F)(F)F)N1CCCCC1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 16/20 0.58
GRM5 P41594 1/20 0.50
CYP3A4 P08684 4/20 0.48
CYP2C9 P11712 4/20 0.48
CYP2C19 P33261 4/20 0.48
CYP1A2 P05177 3/20 0.47
CYP2D6 P10635 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
JAK3 P52333 1/20 0.45
GSK3A P49840 1/20 0.45
GSK3B P49841 1/20 0.45

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
SCHEMBL3380525 0.89 CNR2 (0.56) CNR2CYP3A4CYP2C9CYP2C19CYP1A2
SCHEMBL3379428 0.88 CNR2 (0.60) CNR2GRM5CYP3A4CYP2C9CYP2C19
SCHEMBL13069944 0.87 CNR2 (0.60) CNR2CYP3A4CYP2C9CYP2C19CYP1A2
SCHEMBL3380758 0.87 CNR2 (0.64) CNR2CYP3A4CYP2C9CYP2C19CYP1A2
SCHEMBL3380533 0.84 ATF1 (0.56) CNR2CYP3A4CYP2C9CYP2C19CYP1A2
SCHEMBL3380598 0.81 CNR2 (0.70) CNR2GSK3AGSK3B
SCHEMBL12796491 0.79 LRRK2 (0.47) CNR2CYP3A4CYP2C9CYP2C19CYP1A2
SCHEMBL3380965 0.79 CNR2 (0.57) CNR2CYP3A4CYP2C9CYP2C19CYP1A2
SCHEMBL3379094 0.78 CNR2 (0.58) CNR2CYP3A4CYP2C9CYP2C19CYP1A2
SCHEMBL3378797 0.77 CNR2 (0.65) CNR2CYP3A4CYP2C9CYP2C19CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1878725-B1 Pyrimidine derivatives and their use as CB2 modulators GLAXO GROUP LTD (GB) 2010-11-24 EP disclosed
US-20100041654-A1 Pyrimidine Derivatives And Their Use As CB2 Modulators EATHERTON ANDREW JOHN 2010-02-18 US disclosed
US-20100041654-A1 Pyrimidine Derivatives And Their Use As CB2 Modulators EATHERTON ANDREW JOHN 2010-02-18 US disclosed
US-20100041654-A1 Pyrimidine Derivatives And Their Use As CB2 Modulators EATHERTON ANDREW JOHN 2010-02-18 US disclosed
US-7635701-B2 Pyrimidine derivatives and their use as CB2 modulators GLAXO GROUP LIMITED (GB) 2009-12-22 US disclosed
US-7635701-B2 Pyrimidine derivatives and their use as CB2 modulators GLAXO GROUP LIMITED (GB) 2009-12-22 US disclosed
US-7635701-B2 Pyrimidine derivatives and their use as CB2 modulators GLAXO GROUP LIMITED (GB) 2009-12-22 US disclosed
EP-1878725-A2 Pyrimidine derivatives and their use as CB2 modulators GLAXO GROUP LIMITED (GB) 2008-01-16 EP disclosed
US-20060293354-A1 Pyrimidine derivatives and their use as CB2 modulators GLAXO GROUP LIMITED (GB) 2006-12-28 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-20060293354-A1 Pyrimidine derivatives and their use as CB2 modulators CNR2, CNR1, P2RX3 CNR2 1/4885GRM5 407/4885CYP3A4 2031/4885
US-20100041654-A1 Pyrimidine Derivatives And Their Use As CB2 Modulators CNR2, CNR1, P2RY2 CNR2 1/4885GRM5 490/4885CYP3A4 1711/4885

“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.