SCHEMBL3451844

SCHEMBL3451844

Cc1ncc2n1C(=O)N(C1CCN(C(=O)C(NC(=O)Nc3ccc(C(F)(F)F)cc3)c3ccccc3)CC1)C2

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
F10 P00742 4/20 0.43
F2 P00734 2/20 0.43
EPHX2 P34913 4/20 0.41
MTTP P55157 9/20 0.41
CCR3 P51677 1/20 0.41
TRPV1 Q8NER1 1/20 0.39
NR3C1 P04150 1/20 0.38

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
SCHEMBL3447656 0.93 F10 (0.47) F10F2EPHX2
SCHEMBL3452011 0.92 F10 (0.44) F10F2EPHX2CCR3
SCHEMBL13108483 0.92 F10 (0.44) F10F2EPHX2CCR3
SCHEMBL3449330 0.92 F10 (0.45) F10F2CCR3
SCHEMBL3447682 0.91 F10 (0.44) F10F2
SCHEMBL3450667 0.91 F10 (0.51) F10F2NR3C1
SCHEMBL3451847 0.91 F10 (0.51) F10F2NR3C1
SCHEMBL3449674 0.91 F10 (0.51) F10F2NR3C1
SCHEMBL13108491 0.89 F10 (0.44) F10F2EPHX2CCR3
SCHEMBL3449247 0.89 F10 (0.43) F10F2MTTP

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-7820673-B2 Urea derivative, process for producing the same, and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-10-26 US disclosed
US-7820673-B2 Urea derivative, process for producing the same, and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-10-26 US disclosed
US-7820673-B2 Urea derivative, process for producing the same, and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-10-26 US disclosed
US-20070093501-A1 Urea derivative, process for producing the same, and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-04-26 US disclosed
US-20070093501-A1 Urea derivative, process for producing the same, and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-04-26 US disclosed
US-20070093501-A1 Urea derivative, process for producing the same, and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-04-26 US disclosed
EP-1695961-A1 UREA DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE Takeda Pharmaceutical Company Limited (JP) 2006-08-30 EP 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 (1 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-20070093501-A1 Urea derivative, process for producing the same, and use F2, URB2, F12 F10 22/4885F2 1/4885EPHX2 607/4885

“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.