SCHEMBL3449641

SCHEMBL3449641

Cc1ncc2n1C(=O)N(N1CCN(C(=O)C(OC(=O)Nc3ccc(Cl)cc3)c3ccccc3)CC1)C2

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
F10 P00742 3/20 0.45
ALDH1A1 P00352 1/20 0.36
F2 P00734 1/20 0.35
PANK3 Q9H999 1/20 0.35
GRM5 P41594 1/20 0.35
KLK7 P49862 2/20 0.34
UTS2R Q9UKP6 2/20 0.34
NR3C1 P04150 1/20 0.34
CYP19A1 P11511 1/20 0.34
RAB9A P51151 1/20 0.33
USP2 O75604 1/20 0.33
TRPV1 Q8NER1 1/20 0.33
CHRM1 P11229 1/20 0.33
MAPK1 P28482 1/20 0.33
BCHE P06276 1/20 0.33

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
SCHEMBL3449335 0.85 F10 (0.46) F10ALDH1A1F2NR3C1RAB9A
SCHEMBL3449849 0.85 F10 (0.46) F10ALDH1A1F2NR3C1RAB9A
SCHEMBL3450753 0.83 F10 (0.46) F10ALDH1A1F2RAB9A
SCHEMBL3448772 0.79 FPR2 (0.49) F10ALDH1A1CHRM1
SCHEMBL3449432 0.79 F10 (0.49) F10UTS2R
SCHEMBL3450519 0.79 FPR2 (0.49) F10ALDH1A1CHRM1
SCHEMBL3451344 0.78 CCR1 (0.48) F10F2
SCHEMBL3451874 0.78 F10 (0.47) F10F2NR3C1RAB9A
SCHEMBL3449908 0.78 F10 (0.47) F10F2NR3C1RAB9A
SCHEMBL3450303 0.78 F10 (0.47) F10F2NR3C1RAB9A

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 22/4885ALDH1A1 3712/4885F2 1/4885

“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.