Sugi Predict

Sugi Predict / Compounds / SCHEMBL3865263

SCHEMBL3865263

SCHEMBL3865263

Cc1ccc(C(=O)N2CC[C@@H](NC(=O)N3CCN(CC(=O)N4CCCCC4)CC3)C2)cn1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.47
▸ KMT2A Q03164 3/20 0.46
▸ GRM5 P41594 1/20 0.46
▸ LMNA P02545 1/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ KDM5B Q9UGL1 1/20 0.45
▸ VNN1 O95497 1/20 0.43
▸ HPGDS O60760 2/20 0.42
▸ CCNK O75909 1/20 0.42
▸ CDK12 Q9NYV4 1/20 0.42
▸ PDE2A O00408 1/20 0.42
▸ USP2 O75604 1/20 0.41
▸ PRKAB2 O43741 2/20 0.41
▸ PRKAG1 P54619 2/20 0.41
▸ PRKAA2 P54646 2/20 0.41
▸ PRKAA1 Q13131 2/20 0.41
▸ PRKAG3 Q9UGI9 2/20 0.41
▸ PRKAG2 Q9UGJ0 2/20 0.41
▸ PRKAB1 Q9Y478 2/20 0.41
▸ DPP7 Q9UHL4 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
SCHEMBL5748611 1.00 ALDH1A1 (0.47) ALDH1A1KMT2AGRM5LMNAMEN1
SCHEMBL3861404 0.90 ALDH1A1 (0.55) ALDH1A1KMT2AGRM5LMNAMEN1
SCHEMBL3862880 0.89 ALDH1A1 (0.53) ALDH1A1KMT2AGRM5LMNAMEN1
SCHEMBL5746938 0.89 ALDH1A1 (0.53) ALDH1A1KMT2AGRM5LMNAMEN1
SCHEMBL5749702 0.89 PRKAA2 (0.45) ALDH1A1KMT2AGRM5LMNAMEN1
SCHEMBL3862481 0.89 PRKAA2 (0.45) ALDH1A1KMT2AGRM5LMNAMEN1
SCHEMBL3862507 0.86 HRH3 (0.48) ALDH1A1KMT2ALMNAMEN1KDM5B
SCHEMBL5745659 0.86 HRH3 (0.48) ALDH1A1KMT2ALMNAMEN1KDM5B
SCHEMBL3858189 0.84 ALDH1A1 (0.53) ALDH1A1KMT2AGRM5LMNAMEN1
SCHEMBL3857139 0.84 ALDH1A1 (0.48) ALDH1A1KMT2AGRM5LMNAMEN1

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 ALDH1A1 1710/4885KMT2A 4101/4885GRM5 4017/4885

“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.