SCHEMBL3550157

SCHEMBL3550157

COc1cccc(-c2ccc(C(=O)N3Cc4ccc(C(=O)NCc5cccnc5)n4Cc4ccccc43)cc2C)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTAFR P25105 2/20 0.44
ROCK2 O75116 3/20 0.44
ROCK1 Q13464 2/20 0.44
GAA P10253 2/20 0.42
HCRTR1 O43613 1/20 0.42
HCRTR2 O43614 1/20 0.42
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
DGAT2 Q96PD7 6/20 0.41
MAPK1 P28482 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41
AVPR2 P30518 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
TP53 P04637 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40

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
SCHEMBL5891677 0.93 ROCK2 (0.48) PTAFRROCK2ROCK1GAACYP11B1
SCHEMBL5890810 0.92 ROCK2 (0.42) ROCK2ROCK1DGAT2MAPK1AVPR2
SCHEMBL3553530 0.92 HTT (0.43) ROCK2KDM4EALDH1A1MAPTHTT
SCHEMBL3553647 0.90 MAPK1 (0.41) ROCK2GAAMAPK1KDM4EALDH1A1
SCHEMBL3558686 0.89 NAMPT (0.46) ROCK2GAAKDM4EALDH1A1MAPT
SCHEMBL3558808 0.88 AVPR2 (0.45) ROCK2ROCK1GAAKDM4EALDH1A1
SCHEMBL3561715 0.88 AVPR2 (0.41) ROCK2GAAKDM4EALDH1A1HTT
SCHEMBL3559955 0.88 NAMPT (0.41) ROCK2GAAKDM4EALDH1A1HTT
SCHEMBL3550201 0.88 SMN1; SMN2 (0.42) ROCK2KDM4EALDH1A1HTTAVPR2
SCHEMBL3554172 0.88 NAMPT (0.42) ROCK2GAAKDM4EALDH1A1HTT

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 6 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
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 PTAFR 1006/4885ROCK2 4797/4885ROCK1 4857/4885
US-20060287522-A1 Pyrrolobenzodiazepine pyridine carboxamides and derivatives as follicle-stimulating hormone receptor antagonists FSHR, GNRHR, PRLHR PTAFR 438/4885ROCK2 3726/4885ROCK1 4012/4885

“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.