Sugi Predict

Sugi Predict / Compounds / SCHEMBL1017510

SCHEMBL1017510

SCHEMBL1017510

COC(=O)c1cc(-c2cc(N)ccc2Cl)ncc1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 3/20 0.43
▸ NQO2 P16083 3/20 0.41
▸ ABL1 P00519 1/20 0.40
▸ MAPT P10636 3/20 0.38
▸ POLQ O75417 1/20 0.38
▸ PLA2G7 Q13093 1/20 0.38
▸ KDM4C Q9H3R0 1/20 0.38
▸ KDM4E B2RXH2 2/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ GLA P06280 1/20 0.37
▸ CYP46A1 Q9Y6A2 1/20 0.36
▸ PTGS2 P35354 1/20 0.36
▸ ALPL P05186 1/20 0.36
▸ KDM1A O60341 1/20 0.36
▸ SLC6A4 P31645 1/20 0.35
▸ SLC6A3 Q01959 1/20 0.35
▸ TGFBR1 P36897 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ NFKB1 P19838 1/20 0.35
▸ RAB9A P51151 1/20 0.35

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
SCHEMBL1019219 0.80 MAPK1 (0.47) GAAMAPTKDM4CKDM4EALDH1A1
SCHEMBL9641326 0.78 ATM (0.42) GAAMAPTKDM4CKDM4EALDH1A1
SCHEMBL1019129 0.77 KDM4C (0.56) GAAMAPTKDM4CKDM4EALDH1A1
SCHEMBL1017511 0.75 GAA (0.43) GAANQO2ABL1MAPTPLA2G7
SCHEMBL57389 0.73 GAA (0.61) GAANQO2ABL1MAPTKDM4E
Hydrochloric Acid SCHEMBL5389504 0.72 GAA (0.59) GAANQO2ABL1MAPTKDM4E
SCHEMBL17029063 0.72 GABRP (0.51) GAANQO2ABL1MAPTKDM4E
SCHEMBL18725404 0.72 KDM4E (0.46) GAANQO2ABL1MAPTPOLQ
SCHEMBL29141529 0.72 LDHA (0.59) GAAMAPTKDM4EALDH1A1GLA
SCHEMBL1321845 0.71 GAA (0.62) GAAABL1MAPTKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240116872-A1 PYRIDYL INHIBITORS FOR HEDGEHOG SIGNALLING GENENTECH, INC. (US) 2024-04-11 — — US disclosed
US-20230265054-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING GENENTECH, INC. (US) 2023-08-24 — — US disclosed
US-20210070707-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING GENENTECH, INC. (US) 2021-03-11 — — US disclosed
US-20200190030-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING GENENTECH, INC. (US) 2020-06-18 — — US disclosed
US-20180258043-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING GENENTECH, INC. (US) 2018-09-13 — — US disclosed
US-20180029984-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING GENENTECH, INC. (US) 2018-02-01 — — US disclosed
US-9790183-B2 Pyridyl inhibitors of hedgehog signalling GENENTECH, INC. (US) 2017-10-17 — — US disclosed
US-20170015627-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING GENENTECH, INC. (US) 2017-01-19 — — US disclosed
US-20160152569-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING GENENTECH, INC. (US) 2016-06-02 — — US disclosed
US-20120094980-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING GUNZNER JANET L (US) 2012-04-19 — — US disclosed
EP-1789390-B1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING GENENTECH INC (US) 2011-11-09 — — EP disclosed
US-7888364-B2 Pyridyl inhibitors of hedgehog signalling CURIS, INC. (US) 2011-02-15 — — US disclosed
EP-2271642-A2 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING Genentech, Inc. (US) 2011-01-12 — — EP disclosed
WO-2009126863-A2 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING GENENTECH, INC. (US) 2009-10-15 — — WO disclosed
EP-1789390-A2 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING Genentech, Inc. (US) 2007-05-30 — — EP disclosed
US-20060063779-A1 Pyridyl inhibitors of hedgehog signalling CURIS ROYALTY LLC 2006-03-23 — — US disclosed
WO-2006028958-A2 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING GENENTECH, INC. (US) 2006-03-16 — — 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 (10 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-20200190030-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING SHH, GLI1, SMO GAA 4713/4885NQO2 1619/4885ABL1 245/4885
US-20160152569-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING SHH, GLI1, SMO GAA 4713/4885NQO2 1619/4885ABL1 245/4885
US-20230265054-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING SHH, GLI1, SMO GAA 4713/4885NQO2 1619/4885ABL1 245/4885
US-20240116872-A1 PYRIDYL INHIBITORS FOR HEDGEHOG SIGNALLING SHH, GLI1, SMO GAA 4693/4885NQO2 1631/4885ABL1 262/4885
US-20180029984-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING SHH, GLI1, SMO GAA 4713/4885NQO2 1619/4885ABL1 245/4885
US-20210070707-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING SHH, GLI1, SMO GAA 4713/4885NQO2 1619/4885ABL1 245/4885
US-20120094980-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING SHH, GLI1, SMO GAA 4713/4885NQO2 1619/4885ABL1 245/4885
US-20180258043-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING SHH, GLI1, SMO GAA 4713/4885NQO2 1619/4885ABL1 245/4885
US-20170015627-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING SHH, GLI1, SMO GAA 4713/4885NQO2 1619/4885ABL1 245/4885
US-20060063779-A1 Pyridyl inhibitors of hedgehog signalling SHH, GLI1, SMO GAA 4713/4885NQO2 1619/4885ABL1 245/4885

“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.