Sugi Predict

Sugi Predict / Compounds / SCHEMBL2744314

SCHEMBL2744314

SCHEMBL2744314

CC(C)(C)c1ccc(CN2CCN(c3cc[c]c(C(N)=O)n3)CC2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 2/20 0.43
▸ MEN1 O00255 3/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ OPRM1 P35372 2/20 0.42
▸ OPRK1 P41145 2/20 0.42
▸ DRD4 P21917 2/20 0.41
▸ GPR183 P32249 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ CASP1 P29466 1/20 0.39
▸ CASP4 P49662 1/20 0.39
▸ CASP5 P51878 1/20 0.39
▸ DRD2 P14416 1/20 0.39
▸ PANK3 Q9H999 1/20 0.39
▸ BCHE P06276 1/20 0.38
▸ ACHE P22303 1/20 0.38
▸ PPARD Q03181 2/20 0.38
▸ PPARA Q07869 2/20 0.38

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
SCHEMBL2744706 0.85 AURKA (0.48) OPRM1OPRK1DRD4ALDH1A1MAPT
SCHEMBL2744333 0.85 OPRM1 (0.42) MEN1KMT2AOPRM1OPRK1ALDH1A1
SCHEMBL2744104 0.84 CASP1 (0.48) MEN1KMT2AOPRM1OPRK1KDM4E
SCHEMBL2744501 0.83 PRKAA2 (0.44) MEN1KMT2AOPRM1OPRK1ALDH1A1
SCHEMBL2744862 0.81 HRH3 (0.52) OPRM1OPRK1ALDH1A1MAPTRAB9A
SCHEMBL2744127 0.80 CASP1 (0.50) MEN1KMT2AOPRM1OPRK1KDM4E
SCHEMBL2744193 0.80 OPRM1 (0.42) PPARGKMT2AOPRM1OPRK1ALDH1A1
SCHEMBL2825602 0.80 HRH3 (0.45) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL2744598 0.80 SIGMAR1 (0.49) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL2745038 0.79 LSS (0.51) OPRM1OPRK1DRD4MAPT

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120196849-A1 COMPOUNDS AND COMPOSITIONS AS HEDGEHOG PATHWAY MODULATORS IRM LLC (BM) 2012-08-02 — — US claimed
US-20100197659-A1 BIPHENYLCARBOXAMIDE DERIVATIVES AS HEDGEHOD PATHWAY MODULATORS IRM LLC (BM) 2010-08-05 — — US claimed
EP-2162190-A1 BIPHENYLCARBOXAMIDE DERIVATIVES AS HEDGEHOG PATHWAY MODULATORS IRM LLC (BM) 2010-03-17 — — EP claimed
US-20090203666-A1 COMPOUNDS AND COMPOSITIONS AS HEDGEHOG PATHWAY MODULATORS IRM LLC (BM) 2009-08-13 — — US claimed
EP-2021328-A2 COMPOUNDS AND COMPOSITIONS AS HEDGEHOG PATHWAY MODULATORS IRM LLC (BM) 2009-02-11 — — EP claimed
WO-2008154259-A1 BIPHENYLCARBOXAMIDE DERIVATIVES AS HEDGEHOG PATHWAY MODULATORS IRM LLC (BM) 2008-12-18 — — WO claimed
WO-2007131201-A2 COMPOUNDS AND COMPOSITIONS AS HEDGEHOG PATHWAY MODULATORS IRM LLC (BM) 2007-11-15 — — WO claimed
CN-102746285-B Compounds and compositions as HEDGEHOG pathway modulators 太阳制药国际公司 2022-01-14 — — CN disclosed
EP-3023097-A1 SMOOTHENED ANTAGONISM FOR THE TREATMENT OF HEDGEHOG PATHWAY-RELATED DISORDERS Novartis AG (CH) 2016-05-25 — — EP disclosed
US-20150209365-A1 Methods and Compositions for Treating Luekemia NOVARTIS AG (CH) 2015-07-30 — — US disclosed
US-20150025074-A1 METHODS AND COMPOSITIONS FOR TREATING SOLID TUMORS AND OTHER MALIGNANCIES BUONAMICI SILVIA (US) 2015-01-22 — — US disclosed
US-20140200217-A1 SMOOTHENED ANTAGONISM FOR THE TREATMENT OF HEDGEHOG PATHWAY-RELATED DISORDERS DORSCH MARION (US) 2014-07-17 — — US disclosed
US-8778927-B2 Smoothened antagonism for the treatment of hedgehog pathway-related disorders NOVARTIS AG (CH) 2014-07-15 — — US disclosed
US-20100197659-A1 BIPHENYLCARBOXAMIDE DERIVATIVES AS HEDGEHOD PATHWAY MODULATORS IRM LLC (BM) 2010-08-05 — — US disclosed
WO-2010037715-A1 SMOOTHENED ANTAGONISM FOR THE TREATMENT OF HEDGEHOG PATHWAY-RELATED DISORDERS NOVARTIS AG (CH) 2010-04-08 — — WO disclosed
EP-2162190-A1 BIPHENYLCARBOXAMIDE DERIVATIVES AS HEDGEHOG PATHWAY MODULATORS IRM LLC (BM) 2010-03-17 — — EP disclosed
US-20090203666-A1 COMPOUNDS AND COMPOSITIONS AS HEDGEHOG PATHWAY MODULATORS IRM LLC (BM) 2009-08-13 — — US disclosed
EP-2021328-A2 COMPOUNDS AND COMPOSITIONS AS HEDGEHOG PATHWAY MODULATORS IRM LLC (BM) 2009-02-11 — — EP disclosed
WO-2008154259-A1 BIPHENYLCARBOXAMIDE DERIVATIVES AS HEDGEHOG PATHWAY MODULATORS IRM LLC (BM) 2008-12-18 — — WO disclosed
WO-2007131201-A2 COMPOUNDS AND COMPOSITIONS AS HEDGEHOG PATHWAY MODULATORS IRM LLC (BM) 2007-11-15 — — 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 (6 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-20150025074-A1 METHODS AND COMPOSITIONS FOR TREATING SOLID TUMORS AND OTHER MALIGNANCIES MTOR, ULK1, HRAS PPARG 3111/4885MEN1 1081/4885KMT2A 1419/4885
US-20150209365-A1 Methods and Compositions for Treating Luekemia MCL1, ABL1, BCR PPARG 2055/4885MEN1 4287/4885KMT2A 610/4885
US-20100197659-A1 BIPHENYLCARBOXAMIDE DERIVATIVES AS HEDGEHOD PATHWAY MODULATORS GLI1, SHH, GLI2 PPARG 300/4885MEN1 1367/4885KMT2A 1709/4885
US-20090203666-A1 COMPOUNDS AND COMPOSITIONS AS HEDGEHOG PATHWAY MODULATORS GLI1, SHH, SMO PPARG 947/4885MEN1 1268/4885KMT2A 1200/4885
US-20120196849-A1 COMPOUNDS AND COMPOSITIONS AS HEDGEHOG PATHWAY MODULATORS GLI1, SHH, SMO PPARG 947/4885MEN1 1268/4885KMT2A 1200/4885
US-20140200217-A1 SMOOTHENED ANTAGONISM FOR THE TREATMENT OF HEDGEHOG PATHWAY-RELATED DISORDERS GLI1, SHH, SMO PPARG 1014/4885MEN1 521/4885KMT2A 1238/4885

“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.