SCHEMBL3449307

SCHEMBL3449307

CN1C=C2C(=O)N(C3CCN(C(=O)CC(NC(=O)OC(C)(C)C)c4ccccc4)CC3)CN2C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CALCRL Q16602 1/20 0.43
RET P07949 1/20 0.40
ITGB3 P05106 1/20 0.37
ITGA2B P08514 1/20 0.37
KLK5 Q9Y337 1/20 0.36
KMT2A Q03164 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KDM4E B2RXH2 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
MAPK1 P28482 1/20 0.35
CACNA2D1 P54289 2/20 0.35
CACNA1B Q00975 2/20 0.35
CACNB1 Q02641 2/20 0.35
CACNA1C Q13936 2/20 0.35
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL3448366 0.86 CALCRL (0.41) CALCRLITGB3ITGA2BKLK5KMT2A
SCHEMBL3448598 0.86 CALCRL (0.40) CALCRLKMT2AKDM4EMAPK1
SCHEMBL3449987 0.85 RET (0.42) RETKMT2ALMNAMAPTHTT
SCHEMBL3449256 0.82 EPHX2 (0.41) ITGB3ITGA2BKMT2ALMNAMAPT
SCHEMBL3449067 0.79 SIGMAR1 (0.45) CALCRLKMT2AALDH1A1
SCHEMBL3448474 0.79 CALCRL (0.37) CALCRLKMT2ALMNAMAPK1ALDH1A1
SCHEMBL3448162 0.79 CALCRL (0.37) CALCRLKMT2ALMNAMAPK1ALDH1A1
SCHEMBL3447915 0.79 CALCRL (0.45) CALCRLITGB3ITGA2BKMT2ALMNA
SCHEMBL3448280 0.78 KMT2A (0.46) CALCRLKMT2ALMNACYP2C19MAPK1
SCHEMBL3449005 0.78 KMT2A (0.39) CALCRLKMT2ALMNAMAPK1ALDH1A1

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 3 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-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 CALCRL 2629/4885RET 2112/4885ITGB3 4027/4885

“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.