SCHEMBL3559762

SCHEMBL3559762

Cc1cc(C(=O)N2Cc3ccc(C(=O)NCc4cccnc4)n3Cc3ccccc32)ccc1-c1ccccc1C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
ALOX15 P16050 1/20 0.40
CYP2C19 P33261 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CLK4 Q9HAZ1 1/20 0.40
NAMPT P43490 2/20 0.39
PKM P14618 1/20 0.38
LMNA P02545 3/20 0.38
ROCK2 O75116 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
DRD2 P14416 2/20 0.38
DRD3 P35462 1/20 0.38
ALDH1A1 P00352 3/20 0.37
HTT P42858 2/20 0.37
KDM4E B2RXH2 1/20 0.37
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37
CASP1 P29466 1/20 0.37

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
SCHEMBL5891383 0.92 AVPR2 (0.38) NAMPTLMNAROCK2AVPR2GAA
SCHEMBL3554172 0.92 NAMPT (0.42) CYP1A2CYP3A4CYP2C19CLK4NAMPT
SCHEMBL3555113 0.91 NAMPT (0.40) NAMPTPKMLMNAROCK2SMN1; SMN2
SCHEMBL3554157 0.89 DGAT2 (0.44) NAMPTPKMLMNAROCK2SMN1; SMN2
SCHEMBL3550256 0.89 USP2 (0.45) NAMPTPKMLMNAROCK2SMN1; SMN2
SCHEMBL3553328 0.89 AVPR2 (0.40) NAMPTPKMLMNAROCK2SMN1; SMN2
SCHEMBL3553530 0.89 HTT (0.43) NAMPTLMNAROCK2SMN1; SMN2ALDH1A1
SCHEMBL3558808 0.88 AVPR2 (0.45) CYP1A2CYP3A4CYP2D6CYP2C19HSD17B10
SCHEMBL3559955 0.88 NAMPT (0.41) NAMPTPKMLMNAROCK2SMN1; SMN2
SCHEMBL3554855 0.88 NAMPT (0.39) NAMPTPKMLMNAROCK2SMN1; SMN2

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-7064120-B2 Tricyclic pyridyl carboxamides and derivatives thereof tocolytic oxytocin receptor antagonists WYETH (US) 2006-06-20 US claimed
US-20030055047-A1 Novel tricyclic pyridyl carboxamides and derivatives thereof tocolytic oxytocin receptor antagonists WYETH 2003-03-20 US claimed
US-7678787-B2 Pyrrolobenzodiazepine pyridine carboxamides and derivatives as follicle-stimulating hormone receptor antagonists WYETH (US) 2010-03-16 US disclosed
US-20060287522-A1 Pyrrolobenzodiazepine pyridine carboxamides and derivatives as follicle-stimulating hormone receptor antagonists WYETH (US) 2006-12-21 US disclosed
US-7064120-B2 Tricyclic pyridyl carboxamides and derivatives thereof tocolytic oxytocin receptor antagonists WYETH (US) 2006-06-20 US disclosed
WO-2002083683-A9 NOVEL TRICYCLIC PYRIDYL BENZAZEPINE CARBOXAMIDES AND DERIVATIVES THEREOF TOCOLYTIC OXYTOCIN RECEPTOR ANTAGONISTS WYETH CORP (US) 2004-02-26 WO disclosed
US-20030055047-A1 Novel tricyclic pyridyl carboxamides and derivatives thereof tocolytic oxytocin receptor antagonists WYETH 2003-03-20 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-20030055047-A1 Novel tricyclic pyridyl carboxamides and derivatives thereof tocolytic oxytocin receptor antagonists OXTR, OPRL1, OPRK1 CYP1A2 2089/4885CYP3A4 3014/4885CYP2D6 1508/4885
US-20060287522-A1 Pyrrolobenzodiazepine pyridine carboxamides and derivatives as follicle-stimulating hormone receptor antagonists FSHR, GNRHR, PRLHR CYP1A2 839/4885CYP3A4 1220/4885CYP2D6 1973/4885

“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.