Sugi Predict

Sugi Predict / Compounds / SCHEMBL1166950

SCHEMBL1166950

SCHEMBL1166950

Cc1ccc(F)c(COC(=O)Nc2cnn(Cc3ccc(C(C)(F)F)o3)c2)c1Cl

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ SCD O00767 2/20 0.37
▸ SCD5 Q86SK9 1/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ HDAC3 O15379 1/20 0.37
▸ HDAC8 Q9BY41 1/20 0.37
▸ NCOR2 Q9Y618 1/20 0.37
▸ TP53 P04637 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ TAS2R8 Q9NYW2 6/20 0.35
▸ SMN1; SMN2 Q16637 3/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ HCRTR1 O43613 1/20 0.34
▸ HCRTR2 O43614 1/20 0.34
▸ 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
SCHEMBL1166111 0.92 TAS2R8 (0.38) SCDSCD5HDAC3HDAC8NCOR2
SCHEMBL1165968 0.89 SCD (0.37) KDM4ECYP1A2POLBCYP3A4CYP2C19
SCHEMBL1165908 0.88 KDM4E (0.48) KDM4ECYP1A2POLBCYP3A4CYP2C19
SCHEMBL1166373 0.87 HCRTR1 (0.45) KDM4ECYP1A2POLBCYP3A4CYP2C19
SCHEMBL1166909 0.84 NPSR1 (0.40) CYP1A2CYP3A4CYP2C19MEN1KMT2A
SCHEMBL1167389 0.83 HCRTR1 (0.41) KDM4ECYP1A2POLBCYP2C19SCD
SCHEMBL1166181 0.83 SCD (0.41) KDM4ECYP1A2POLBCYP3A4CYP2C19
SCHEMBL1167395 0.83 ALDH1A1 (0.47) KDM4ECYP1A2POLBCYP3A4CYP2C19
SCHEMBL1166681 0.82 SCD5 (0.43) KDM4ECYP1A2POLBCYP3A4CYP2C19
SCHEMBL1166489 0.82 SCD (0.46) KDM4ECYP1A2POLBCYP3A4CYP2C19

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
EP-2242743-B1 AMINOPYRAZOLE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2013-08-21 — — EP claimed
US-8288419-B2 Aminopyrazole derivatives ACTELION PHARMACEUTICALS, LTD (CH) 2012-10-16 — — US claimed
US-20110034516-A1 AMINOPYRAZOLE DERIVATIVES ACTELION (CH) 2011-02-10 — — US claimed
EP-2242743-B1 AMINOPYRAZOLE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2013-08-21 — — EP disclosed
US-8288419-B2 Aminopyrazole derivatives ACTELION PHARMACEUTICALS, LTD (CH) 2012-10-16 — — US disclosed
US-20110034516-A1 AMINOPYRAZOLE DERIVATIVES ACTELION (CH) 2011-02-10 — — US disclosed
EP-2242743-A1 AMINOPYRAZOLE DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2010-10-27 — — EP disclosed
WO-2009077954-A1 AMINOPYRAZOLE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2009-06-25 — — 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 (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-20110034516-A1 AMINOPYRAZOLE DERIVATIVES CYP3A43, CYP1A2, CYP3A5 KDM4E 1994/4885CYP1A2 2/4885POLB 2932/4885

“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.