Sugi Predict

Sugi Predict / Compounds / SCHEMBL578430

SCHEMBL578430

SCHEMBL578430

O=c1[nH]c(Cl)nc2ccc(F)cc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TUBB4A P04350 3/20 0.55
▸ TUBB P07437 3/20 0.55
▸ TUBA3C P0DPH7 3/20 0.55
▸ TUBA1B P68363 3/20 0.55
▸ TUBA4A P68366 3/20 0.55
▸ TUBB4B P68371 3/20 0.55
▸ TUBB3 Q13509 3/20 0.55
▸ TUBB2A Q13885 3/20 0.55
▸ TUBB8 Q3ZCM7 3/20 0.55
▸ TUBA3E Q6PEY2 3/20 0.55
▸ TUBA1A Q71U36 3/20 0.55
▸ TUBA1C Q9BQE3 3/20 0.55
▸ TUBB6 Q9BUF5 3/20 0.55
▸ TUBB2B Q9BVA1 3/20 0.55
▸ TUBB1 Q9H4B7 3/20 0.55
▸ PARP1 P09874 7/20 0.52
▸ TNKS O95271 7/20 0.52
▸ TNKS2 Q9H2K2 7/20 0.52
▸ TYMS P04818 3/20 0.48
▸ CASP3 P42574 1/20 0.45

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
SCHEMBL578054 0.86 PARP14 (0.46) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL3423481 0.82 KDM4E (0.59) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL31079885 0.82 TUBB4A (0.57) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL26017633 0.79 TUBB4A (0.55) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL12693599 0.79 KDM4E (0.42) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL30062569 0.79 TUBB4A (0.55) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL4725175 0.79 TUBB4A (0.55) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL3424900 0.79 TUBB4A (0.55) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL15574965 0.79 TUBB4A (0.55) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL4369801 0.79 TYMS (0.72) TUBB4ATUBBTUBA3CTUBA1BTUBA4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1894234-A Dipeptidyl peptidase inhibitors SYRRX INC (JP) 2007-01-10 — — CN claimed
US-20050004117-A1 Dipeptidyl peptidase inhibitors SYRRX, INC. 2005-01-06 — — US claimed
WO-2004087053-A9 DIPEPTIDYL PEPTIDASE INHIBITORS SYRRX INC (US) 2004-11-11 — — WO claimed
US-11390610-B2 Piperazine derivatives as MAGL inhibitors HOFFMANN-LA ROCHE INC. (US) 2022-07-19 — — US disclosed
EP-3694840-B1 PIPERAZINE DERIVATIVES AS MAGL INHIBITORS HOFFMANN LA ROCHE (CH) 2021-08-04 — — EP disclosed
US-20200299277-A1 PIPERAZINE DERIVATIVES AS MAGL INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2020-09-24 — — US disclosed
EP-3694840-A1 PIPERAZINE DERIVATIVES AS MAGL INHIBITORS Hoffmann-La Roche AG (CH) 2020-08-19 — — EP disclosed
CN-111247129-A Piperazine derivatives as MAGL inhibitors 豪夫迈·罗氏有限公司 2020-06-05 — — CN disclosed
WO-2019072785-A1 PIPERAZINE DERIVATIVES AS MAGL INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2019-04-18 — — WO disclosed
US-10196383-B2 Substituted quinazoline compounds and preparation and uses thereof SUNSHINE LAKE PHARMA CO., LTD. (CN) 2019-02-05 — — US disclosed
US-20180215737-A1 SUBSTITUTED QUINAZOLINE COMPOUNDS AND PREPARATION AND USES THEREOF SUNSHINE LAKE PHARMA CO., LTD. (CN) 2018-08-02 — — US disclosed
EP-1608317-A2 DIPEPTIDYL PEPTIDASE INHIBITORS Takeda San Diego, Inc. (US) 2005-12-28 — — EP disclosed
US-20050004117-A1 Dipeptidyl peptidase inhibitors SYRRX, INC. 2005-01-06 — — US disclosed
US-20040259870-A1 Dipeptidyl peptidase inhibitors SYRRX, INC. 2004-12-23 — — US disclosed
US-20040242568-A1 Dipeptidyl peptidase inhibitors SYRRX, INC. 2004-12-02 — — US disclosed
US-20040242568-A1 Dipeptidyl peptidase inhibitors SYRRX, INC. 2004-12-02 — — US disclosed
US-20040242568-A1 Dipeptidyl peptidase inhibitors SYRRX, INC. 2004-12-02 — — US disclosed
US-20040242566-A1 Dipeptidyl peptidase inhibitors SYRRX, INC. 2004-12-02 — — US disclosed
WO-2004087053-A9 DIPEPTIDYL PEPTIDASE INHIBITORS SYRRX INC (US) 2004-11-11 — — WO disclosed
WO-2004087053-A2 DIPEPTIDYL PEPTIDASE INHIBITORS SYRRX, INC. (US) 2004-10-14 — — 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 (8 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-10196383-B2 Substituted quinazoline compounds and preparation and uses thereof HCRTR1, HCRTR2, NPY5R TUBB4A 3418/4885TUBB 3100/4885TUBA3C 2870/4885
US-20050004117-A1 Dipeptidyl peptidase inhibitors DPP9, DPP4, DPP3 TUBB4A 4561/4885TUBB 4758/4885TUBA3C 3796/4885
US-20040242566-A1 Dipeptidyl peptidase inhibitors DPP9, DPP3, DPP4 TUBB4A 4764/4885TUBB 4755/4885TUBA3C 3985/4885
US-11390610-B2 Piperazine derivatives as MAGL inhibitors MAGI3, PYM1, MAG TUBB4A 2062/4885TUBB 1660/4885TUBA3C 1849/4885
US-20040242568-A1 Dipeptidyl peptidase inhibitors DPP9, DPP4, DPP3 TUBB4A 4610/4885TUBB 4722/4885TUBA3C 3597/4885
US-20040259870-A1 Dipeptidyl peptidase inhibitors DPP9, DPP4, DPP3 TUBB4A 4531/4885TUBB 4687/4885TUBA3C 3486/4885
US-20200299277-A1 PIPERAZINE DERIVATIVES AS MAGL INHIBITORS MAGI3, PYM1, MAG TUBB4A 2062/4885TUBB 1660/4885TUBA3C 1849/4885
US-20180215737-A1 SUBSTITUTED QUINAZOLINE COMPOUNDS AND PREPARATION AND USES THEREOF HCRTR1, HCRTR2, NPY5R TUBB4A 3418/4885TUBB 3100/4885TUBA3C 2870/4885

“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.