Sugi Predict

Sugi Predict / Compounds / SCHEMBL4859516

SCHEMBL4859516

SCHEMBL4859516

CCOc1ccc(C(=O)CC#N)cc1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.62
▸ ALDH1A1 P00352 5/20 0.57
▸ PARP10 Q53GL7 1/20 0.56
▸ PLK1 P53350 1/20 0.53
▸ RAB9A P51151 3/20 0.50
▸ MAPT P10636 3/20 0.50
▸ L3MBTL1 Q9Y468 2/20 0.50
▸ KMT2A Q03164 2/20 0.50
▸ PLA2G4B P0C869 1/20 0.50
▸ NPSR1 Q6W5P4 1/20 0.50
▸ LMNA P02545 2/20 0.49
▸ TP53 P04637 2/20 0.49
▸ HPGD P15428 1/20 0.49
▸ TSHR P16473 1/20 0.49
▸ NQO1 P15559 1/20 0.48
▸ ACACB O00763 1/20 0.48
▸ USP2 O75604 1/20 0.48
▸ HTT P42858 1/20 0.48
▸ HSD17B10 Q99714 1/20 0.48

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
SCHEMBL18551705 0.87 L3MBTL1 (0.59) NPC1ALDH1A1MAPTL3MBTL1KMT2A
SCHEMBL135620 0.82 HDAC3 (0.59) NPC1ALDH1A1RAB9AMAPTLMNA
SCHEMBL4635216 0.82 HSD17B10 (0.62) NPC1ALDH1A1RAB9AMAPTL3MBTL1
SCHEMBL395103 0.81 GSK3B (0.48) NPC1ALDH1A1RAB9AMAPTL3MBTL1
SCHEMBL18116276 0.80 MAPT (0.49) NPC1ALDH1A1RAB9AMAPTL3MBTL1
SCHEMBL7627400 0.80 NPC1 (0.72) NPC1ALDH1A1PARP10PLK1RAB9A
SCHEMBL6317361 0.80 NPC1 (0.72) NPC1ALDH1A1PARP10PLK1RAB9A
SCHEMBL1367365 0.79 PARP10 (0.70) NPC1ALDH1A1PARP10PLK1RAB9A
SCHEMBL3595754 0.79 RAB9A (0.47) NPC1ALDH1A1RAB9AMAPTL3MBTL1
SCHEMBL9736095 0.79 NPC1 (0.48) NPC1ALDH1A1RAB9AMAPTL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112876482-B Polysubstituted heterocyclic derivative, preparation method and medical application thereof 中国药科大学 2023-07-28 — — CN disclosed
CN-112812040-B Amidine acylhydrazone compound and preparation method thereof 赣南师范大学 2023-03-31 — — CN disclosed
CN-112876482-A Polysubstituted heterocyclic derivative, preparation method and medical application thereof 中国药科大学 2021-06-01 — — CN disclosed
CN-112812040-A Amidine acylhydrazone compound and preparation method thereof 赣南师范大学 2021-05-18 — — CN disclosed
US-9085575-B2 Tri- and tetracyclic pyrazolo[3,4-B]pyridine compounds as antineoplastic agent PIERRE FABRE MEDICAMENT (FR) 2015-07-21 — — US disclosed
US-9085575-B2 Tri- and tetracyclic pyrazolo[3,4-B]pyridine compounds as antineoplastic agent PIERRE FABRE MEDICAMENT (FR) 2015-07-21 — — US disclosed
US-9085575-B2 Tri- and tetracyclic pyrazolo[3,4-B]pyridine compounds as antineoplastic agent PIERRE FABRE MEDICAMENT (FR) 2015-07-21 — — US disclosed
EP-2697222-A1 TRI- AND TETRACYCLIC PYRAZOLO[3,4-B]PYRIDINE COMPOUNDS AS ANTINEOPLASTIC AGENT Pierre Fabre Medicament (FR) 2014-02-19 — — EP disclosed
US-20140031362-A1 TRI - AND TETRACYCLIC PYRAZOLO[3,4-B]PYRIDINE COMPOUNDS AS ANTINEOPLASTIC AGENT PIERRE FABRE MEDICAMENT (FR) 2014-01-30 — — US disclosed
US-20140031362-A1 TRI - AND TETRACYCLIC PYRAZOLO[3,4-B]PYRIDINE COMPOUNDS AS ANTINEOPLASTIC AGENT PIERRE FABRE MEDICAMENT (FR) 2014-01-30 — — US disclosed
WO-2012140114-A1 TRI- AND TETRACYCLIC PYRAZOLO[3,4-B]PYRIDINE COMPOUNDS AS ANTINEOPLASTIC AGENT PIERRE FABRE MEDICAMENT (FR) 2012-10-18 — — WO disclosed
US-7393870-B2 3-(heteroarylamino)methylene-1, 3-dihydro-2H-indol-2-ones as kinase inhibitors ALLERGAN, INC. (US) 2008-07-01 — — US disclosed
US-20060074116-A1 3-(Heteroarylamino)methylene-1, 3-dihydro-2H-indol-2-ones as kinase inhibitors ALLERGAN, INC. 2006-04-06 — — US disclosed
US-7005444-B2 3-(heteroarylamino)methylene-1, 3-dihydro-2H-indol-2-ones as kinase inhibitors ALLERGAN, INC. (US) 2006-02-28 — — US disclosed
US-20030130328-A1 3-(Heteroarylamino)methylene-1, 3-dihydro-2H-indol-2-ones as kinase inhibitors ALLERGAN, INC. 2003-07-10 — — US disclosed
US-6559173-B1 organic molecules capable of modulating tyrosine kinase signal transduction in order to regulate, modulate and/or inhibit abnormal cell proliferation. ALLERGAN, INC. 2003-05-06 — — US disclosed
WO-2003026650-A1 3-(HETEROARYLAMINO)METHYLENE-1,3-DIHYDRO-2H-INDOL-2-ONES AS KINASE INHIBITORS ALLERGAN, INC. (US) 2003-04-03 — — WO disclosed
US-5132424-A Anticholesterol, treatment of atherosclerosis THE UPJOHN COMPANY (US) 1992-07-21 — — US disclosed
EP-0425541-A1 PYRAZOLO-AZOLO-PYRIMIDINE-DIONES THE UPJOHN COMPANY (US) 1991-05-08 — — EP disclosed
WO-1990001031-A1 PYRAZOLO-PYRROLO-PYRIMIDINE-DIONES THE UPJOHN COMPANY (US) 1990-02-08 — — 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 (3 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-20140031362-A1 TRI - AND TETRACYCLIC PYRAZOLO[3,4-B]PYRIDINE COMPOUNDS AS ANTINEOPLASTIC AGENT TPMT, TYMP, PAICS NPC1 2460/4885ALDH1A1 1022/4885PARP10 1981/4885
US-20060074116-A1 3-(Heteroarylamino)methylene-1, 3-dihydro-2H-indol-2-ones as kinase inhibitors ERBB2, MKI67, CDK2 NPC1 3810/4885ALDH1A1 2360/4885PARP10 1335/4885
US-20030130328-A1 3-(Heteroarylamino)methylene-1, 3-dihydro-2H-indol-2-ones as kinase inhibitors ERBB2, MKI67, CDK2 NPC1 3810/4885ALDH1A1 2360/4885PARP10 1335/4885

“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.