SCHEMBL4855474

SCHEMBL4855474

Cc1cc(NC(=O)Nc2cc(C)nc3ccccc23)c2ccccc2n1

nearest known ligand 0.75

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.75
MEN1 O00255 1/20 0.75
KMT2A Q03164 1/20 0.75
IGF1R P08069 4/20 0.73
GALR3 O60755 1/20 0.69
RAB9A P51151 1/20 0.69
SMN1; SMN2 Q16637 1/20 0.69
OPRK1 P41145 1/20 0.62
MAPT P10636 2/20 0.59
NPC1 O15118 2/20 0.59
S1PR1 P21453 1/20 0.59
OPRD1 P41143 1/20 0.59
GUSB P08236 1/20 0.59
L3MBTL1 Q9Y468 3/20 0.57
CYP2C19 P33261 1/20 0.57
ALDH1A1 P00352 1/20 0.56
KDM4E B2RXH2 1/20 0.56

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
SCHEMBL6586520 0.94 IGF1R (0.79) HTTMEN1KMT2AIGF1RGALR3
SCHEMBL6586139 0.93 HTT (0.66) HTTMEN1KMT2AIGF1RGALR3
SCHEMBL6588598 0.90 IGF1R (0.77) HTTMEN1KMT2AIGF1RGALR3
SCHEMBL6587028 0.90 IGF1R (0.70) HTTMEN1KMT2AIGF1RGALR3
SCHEMBL4852085 0.89 HTT (0.73) HTTMEN1KMT2AIGF1RGALR3
SCHEMBL5053541 0.89 HTT (0.73) HTTMEN1KMT2AIGF1RGALR3
SCHEMBL6780760 0.88 HTT (0.72) HTTMEN1KMT2AIGF1RGALR3
SCHEMBL6587428 0.88 IGF1R (0.70) HTTMEN1KMT2AIGF1RGALR3
SCHEMBL6588509 0.88 IGF1R (0.77) HTTMEN1KMT2AIGF1RGALR3
SCHEMBL7686561 0.88 IGF1R (0.67) HTTMEN1KMT2AIGF1RGALR3

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7375227-B2 Quinoline derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2008-05-20 US disclosed
US-7375227-B2 Quinoline derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2008-05-20 US disclosed
US-7375227-B2 Quinoline derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2008-05-20 US disclosed
US-20060094716-A1 1-Pyridin-4-yl-urea derivatives ACTELION PHARMACEUTICALS LTD (CH) 2006-05-04 US disclosed
EP-1499607-B1 4-(PIPERIDYL- AND PYRROLIDYL-ALKYL-UREIDO)-QUINOLINES AS UROTENSIN II RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2005-12-07 EP disclosed
EP-1554249-A2 1-PYRIDIN-4-YL-UREA DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2005-07-20 EP disclosed
US-20050043535-A1 4-(Piperidyl-and pyrrolidyl-alkyl-ureido)-quinolines as urotensin II receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2005-02-24 US disclosed
WO-2004026836-A2 1-PYRIDIN-4-YL-UREA DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2004-04-01 WO 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 (2 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-20050043535-A1 4-(Piperidyl-and pyrrolidyl-alkyl-ureido)-quinolines as urotensin II receptor antagonists UTS2R, NTSR2, PLAUR HTT 681/4885MEN1 2285/4885KMT2A 2523/4885
US-20060094716-A1 1-Pyridin-4-yl-urea derivatives P2RY4, P2RX4, REN HTT 1465/4885MEN1 871/4885KMT2A 3136/4885

“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.