SCHEMBL1557718

SCHEMBL1557718

COc1ccc(C(C)=O)cc1CCl

nearest known ligand 0.71

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.67
MEN1 O00255 3/20 0.67
KMT2A Q03164 3/20 0.67
ADRB2 P07550 1/20 0.59
POLB P06746 1/20 0.58
L3MBTL1 Q9Y468 2/20 0.57
GAA P10253 2/20 0.57
HPGD P15428 1/20 0.57
MAPT P10636 2/20 0.56
HTT P42858 1/20 0.56
MAPK1 P28482 3/20 0.55
TSHR P16473 2/20 0.54
MAPK10 P53779 1/20 0.54

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
SCHEMBL17161635 0.86 CA12 (0.62) ALDH1A1MEN1KMT2AHPGDHTT
SCHEMBL6342125 0.86 ALDH1A1 (0.71) ALDH1A1MEN1KMT2AADRB2POLB
SCHEMBL1020427 0.85 MAPT (0.57) ALDH1A1MEN1KMT2AHPGDMAPT
SCHEMBL31371201 0.85 MAPT (0.57) ALDH1A1MEN1KMT2AHPGDMAPT
SCHEMBL11284780 0.85 AKT1 (0.50) ALDH1A1MEN1KMT2AADRB2POLB
SCHEMBL14003532 0.84 ALDH1A1 (0.69) ALDH1A1MEN1KMT2AADRB2POLB
SCHEMBL5119766 0.83 CREBBP (0.62) ALDH1A1MEN1KMT2AL3MBTL1MAPT
SCHEMBL13461886 0.83 ALDH1A1 (0.67) ALDH1A1MEN1KMT2AADRB2POLB
SCHEMBL8649778 0.83 ALDH1A1 (0.67) ALDH1A1MEN1KMT2AADRB2POLB
SCHEMBL7093110 0.81 ALDH1A1 (0.67) ALDH1A1MEN1KMT2AADRB2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2966079-B1 PYRIDOPYRIMIDINE OR PYRIMIDOPYRIMIDINE COMPOUND, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE THEREOF SHANGHAI INST MATERIA MEDICA CAS (CN) 2021-11-24 EP disclosed
EP-2966079-B1 PYRIDOPYRIMIDINE OR PYRIMIDOPYRIMIDINE COMPOUND, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE THEREOF SHANGHAI INST MATERIA MEDICA CAS (CN) 2021-11-24 EP disclosed
CN-109748910-B Quinazolinone compound, preparation method and medical application thereof 徐州医科大学 2021-04-30 CN disclosed
CN-109748910-A A kind of quianzolinones, preparation method and medical usage 徐州医科大学 2019-05-14 CN disclosed
US-9796732-B2 Pyridopyrimidine or pyrimidopyrimidine compound, prepration method, pharmaceutical composition, and use thereof SHANDONG LUOXIN PHARMACEUTICAL GROUP STOCK CO., LTD. (CN) 2017-10-24 US disclosed
US-9796732-B2 Pyridopyrimidine or pyrimidopyrimidine compound, prepration method, pharmaceutical composition, and use thereof SHANDONG LUOXIN PHARMACEUTICAL GROUP STOCK CO., LTD. (CN) 2017-10-24 US disclosed
US-9796732-B2 Pyridopyrimidine or pyrimidopyrimidine compound, prepration method, pharmaceutical composition, and use thereof SHANDONG LUOXIN PHARMACEUTICAL GROUP STOCK CO., LTD. (CN) 2017-10-24 US disclosed
EP-2966079-A1 PYRIDOPYRIMIDINE OR PYRIMIDOPYRIMIDINE COMPOUND, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE THEREOF Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) 2016-01-13 EP disclosed
EP-2966079-A1 PYRIDOPYRIMIDINE OR PYRIMIDOPYRIMIDINE COMPOUND, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE THEREOF Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) 2016-01-13 EP disclosed
US-20150368274-A1 Pyridopyrimidine Or Pyrimidopyrimidine Compound, Prepration Method, Pharmaceutical Composition, And Use Thereof FUDAN UNIVERSITY (CN) 2015-12-24 US disclosed
WO-2006021418-A1 2-SULFANYL-BENZOIMIDAZOL-1-YL-ACETIC ACID DERIVATIVES AS CRTH2 ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2006-03-02 WO disclosed
US-7005440-B1 Therapeutic uses of tri-aryl acid derivatives AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2006-02-28 US disclosed
US-20050113340-A1 2-Aminopurine analogs having HSP90-inhibiting activity CONFORMA THERAPEUTICS CORPORATION 2005-05-26 US disclosed
WO-2005028434-A2 NOVEL HETEROCYCLIC COMPOUNDS AS HSP90-INHIBITORS CONFORMA THERAPEUTICS CORPORATION (US) 2005-03-31 WO disclosed
US-20020019527-A1 Substituted phenyl farnesyltransferase inhibitors ABBOTT LABORATORIES 2002-02-14 US disclosed
EP-1177176-A1 TRI-ARYL ACID DERIVATIVES AS PPAR RECEPTOR LIGANDS Aventis Pharma Deutschland GmbH (DE) 2002-02-06 EP disclosed
WO-2000064876-A1 TRI-ARYL ACID DERIVATIVES AS PPAR RECEPTOR LIGANDS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2000-11-02 WO disclosed
EP-0545376-B1 Guanidino thiazoles and their use as H2-receptor antagonist FUJISAWA PHARMACEUTICAL CO (JP) 1998-09-09 EP disclosed
US-5532258-A ANTIULCER AGENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-07-02 US disclosed
EP-0545376-A1 Guanidino thiazoles and their use as H2-receptor antagonist FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-06-09 EP 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-20150368274-A1 Pyridopyrimidine Or Pyrimidopyrimidine Compound, Prepration Method, Pharmaceutical Composition, And Use Thereof MTOR, PIK3CA, RICTOR ALDH1A1 2906/4885MEN1 2211/4885KMT2A 4095/4885
US-20050113340-A1 2-Aminopurine analogs having HSP90-inhibiting activity HSP90AB2P, HSP90AB1, HSP90AA1 ALDH1A1 827/4885MEN1 4060/4885KMT2A 2392/4885
US-20020019527-A1 Substituted phenyl farnesyltransferase inhibitors FNTA, FNTB, SLC10A1 ALDH1A1 385/4885MEN1 794/4885KMT2A 3687/4885

“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.