SCHEMBL3860102

SCHEMBL3860102

Cc1ccc(C(=O)N2CC[C@@H](NC(=O)N3CCN(c4ccc(F)cc4)CC3)C2)cn1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PRKAA2 P54646 5/20 0.49
HPGDS O60760 4/20 0.46
ALDH1A1 P00352 1/20 0.45
POLB P06746 1/20 0.45
MRGPRX1 Q96LB2 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
HSP90AA1 P07900 1/20 0.44
PRKAB2 O43741 1/20 0.43
PRKAG1 P54619 1/20 0.43
PRKAA1 Q13131 1/20 0.43
PRKAG3 Q9UGI9 1/20 0.43
PRKAG2 Q9UGJ0 1/20 0.43
PRKAB1 Q9Y478 1/20 0.43
USP30 Q70CQ3 1/20 0.43

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
SCHEMBL5745163 1.00 PRKAA2 (0.49) PRKAA2HPGDSALDH1A1POLBMRGPRX1
SCHEMBL3866714 0.90 USP30 (0.54) PRKAA2HPGDSALDH1A1POLBSMN1; SMN2
SCHEMBL3868043 0.87 MAPT (0.48) HPGDSALDH1A1POLBSMN1; SMN2
SCHEMBL3857038 0.85 POLB (0.50) ALDH1A1POLBSMN1; SMN2
SCHEMBL5747491 0.85 POLB (0.50) ALDH1A1POLBSMN1; SMN2
SCHEMBL3862880 0.85 ALDH1A1 (0.53) HPGDSALDH1A1
SCHEMBL5746938 0.85 ALDH1A1 (0.53) HPGDSALDH1A1
SCHEMBL3860236 0.84 ALDH1A1 (0.47) ALDH1A1
SCHEMBL5747495 0.84 ALDH1A1 (0.47) ALDH1A1
SCHEMBL3861404 0.84 ALDH1A1 (0.55) HPGDSALDH1A1

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-7592466-B2 Ureas having antiangiogenic activity ABBOTT LABORATORIES (US) 2009-09-22 US claimed
EP-1680415-B1 PYRROLIDINYL UREA DERIVATIVES AS ANGIOGENESIS INHIBITORS ABBOTT LAB (US) 2008-12-31 EP claimed
US-20060160806-A1 N-benzyl-N'-{(3R)-1-[(6-methylpyridin-3-yl)carbonyl]pyrrolidin-3-yl}urea ABBVIE INC. 2006-07-20 US claimed
US-7592466-B2 Ureas having antiangiogenic activity ABBOTT LABORATORIES (US) 2009-09-22 US disclosed
EP-1680415-B1 PYRROLIDINYL UREA DERIVATIVES AS ANGIOGENESIS INHIBITORS ABBOTT LAB (US) 2008-12-31 EP disclosed
US-20060160806-A1 N-benzyl-N'-{(3R)-1-[(6-methylpyridin-3-yl)carbonyl]pyrrolidin-3-yl}urea ABBVIE INC. 2006-07-20 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 (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-20060160806-A1 N-benzyl-N'-{(3R)-1-[(6-methylpyridin-3-yl)carbonyl]pyrrolidin-3-yl}urea FLT4, FLT1, KDR PRKAA2 2359/4885HPGDS 212/4885ALDH1A1 1710/4885

“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.