Sugi Predict

Sugi Predict / Compounds / SCHEMBL2523948

SCHEMBL2523948

SCHEMBL2523948

CCNc1nc(Cl)ncc1C(=O)OCC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 4/20 0.53
▸ ALDH1A1 P00352 4/20 0.51
▸ HSP90AA1 P07900 1/20 0.47
▸ KDM4E B2RXH2 3/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ MAPT P10636 4/20 0.46
▸ NPSR1 Q6W5P4 2/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ NFKB1 P19838 4/20 0.44
▸ FOS P01100 3/20 0.44
▸ JUN P05412 3/20 0.44
▸ NFKB2 Q00653 3/20 0.44
▸ RELA Q04206 3/20 0.44
▸ HSD17B10 Q99714 2/20 0.44
▸ HPGD P15428 2/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44

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
SCHEMBL22866255 0.89 ALDH1A1 (0.55) SYKALDH1A1HSP90AA1KDM4ECYP1A2
SCHEMBL23620399 0.87 SYK (0.54) SYKALDH1A1HSP90AA1KDM4EMAPT
SCHEMBL14810384 0.87 KDM4E (0.57) SYKALDH1A1HSP90AA1KDM4EMAPT
SCHEMBL31679507 0.87 ALDH1A1 (0.53) SYKALDH1A1KDM4ECYP1A2CYP3A4
SCHEMBL18168237 0.87 PDE4B (0.50) SYKALDH1A1KDM4ECYP1A2CYP3A4
SCHEMBL11582962 0.85 ALDH1A1 (0.52) SYKALDH1A1KDM4ECYP1A2CYP3A4
SCHEMBL19320623 0.85 FOS (0.58) SYKALDH1A1HSP90AA1KDM4ECYP1A2
SCHEMBL28684686 0.84 ALDH1A1 (0.51) SYKALDH1A1KDM4ECYP1A2CYP3A4
SCHEMBL34462345 0.83 NPSR1 (0.65) ALDH1A1KDM4ECYP1A2CYP3A4CYP2C9
SCHEMBL17764556 0.83 SYK (0.51) SYKALDH1A1KDM4EMAPTNPSR1

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
CN-108864081-B FGFR4 inhibitor and preparation and application thereof 南京圣和药业股份有限公司 2021-11-23 — — CN disclosed
EP-2773642-A1 PAK INHIBITORS FOR THE TREATMENT OF CELL PROLIFERATIVE DISORDERS Afraxis Holdings, Inc. (US) 2014-09-10 — — EP disclosed
US-20140163026-A1 8-ETHYL-6-(ARYL)PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONES FOR THE TREATMENT OF NERVOUS SYSTEM DISORDERS AND CANCER AFRAXIS HOLDINGS, INC. (US) 2014-06-12 — — US disclosed
US-20140163026-A1 8-ETHYL-6-(ARYL)PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONES FOR THE TREATMENT OF NERVOUS SYSTEM DISORDERS AND CANCER AFRAXIS HOLDINGS, INC. (US) 2014-06-12 — — US disclosed
US-20140163026-A1 8-ETHYL-6-(ARYL)PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONES FOR THE TREATMENT OF NERVOUS SYSTEM DISORDERS AND CANCER AFRAXIS HOLDINGS, INC. (US) 2014-06-12 — — US disclosed
EP-2694504-A2 8-ETHYL-6-(ARYL)PYRIDO [2,3-D]PYRIMIDIN-7(8H)-ONES FOR THE TREATMENT OF NERVOUS SYSTEM DISORDERS AND CANCER Afraxis Holdings, Inc. (US) 2014-02-12 — — EP disclosed
WO-2013067423-A1 PAK INHIBITORS FOR THE TREATMENT OF CELL PROLIFERATIVE DISORDERS AFRAXIS, INC. (US) 2013-05-10 — — WO disclosed
US-20130116263-A1 PAK INHIBITORS FOR THE TREATMENT OF CELL PROLIFERATIVE DISORDERS AFRAXIS, INC. (US) 2013-05-09 — — US disclosed
US-20130116263-A1 PAK INHIBITORS FOR THE TREATMENT OF CELL PROLIFERATIVE DISORDERS AFRAXIS, INC. (US) 2013-05-09 — — US disclosed
US-20130116263-A1 PAK INHIBITORS FOR THE TREATMENT OF CELL PROLIFERATIVE DISORDERS AFRAXIS, INC. (US) 2013-05-09 — — US disclosed
WO-2013043232-A2 8-ETHYL-6-(ARYL)PYRIDO [2,3-D]PYRIMIDIN-7(8H) -ONES FOR THE TREATMENT OF NERVOUS SYSTEM DISORDERS AND CANCER AFRAXIS, INC. (US) 2013-03-28 — — WO disclosed
US-20110251194-A1 ANTINEOPLASTIC DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2011-10-13 — — US disclosed
US-20110251194-A1 ANTINEOPLASTIC DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2011-10-13 — — US disclosed
US-20110251194-A1 ANTINEOPLASTIC DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2011-10-13 — — US disclosed
US-20100222319-A1 NICOTINAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-09-02 — — US disclosed
EP-2205566-A2 NICOTINAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF Sanofi-Aventis (FR) 2010-07-14 — — EP disclosed
WO-2009074749-A2 NICOTINAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2009-06-18 — — 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 (4 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-20130116263-A1 PAK INHIBITORS FOR THE TREATMENT OF CELL PROLIFERATIVE DISORDERS PAK2, PAK3, PAK1 SYK 3172/4885ALDH1A1 2927/4885HSP90AA1 393/4885
US-20110251194-A1 ANTINEOPLASTIC DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF MCL1, PAICS, SLCO1B1 SYK 1978/4885ALDH1A1 432/4885HSP90AA1 1657/4885
US-20100222319-A1 NICOTINAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF NNT, NAMPT, NQO1 SYK 1791/4885ALDH1A1 380/4885HSP90AA1 4356/4885
US-20140163026-A1 8-ETHYL-6-(ARYL)PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONES FOR THE TREATMENT OF NERVOUS SYSTEM DISORDERS AND CANCER PAK2, PAK1, PAK6 SYK 1037/4885ALDH1A1 1936/4885HSP90AA1 1201/4885

“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.