SCHEMBL68710

SCHEMBL68710

O=Cc1cccc(OC(F)(F)F)c1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.52
PIM2 Q9P1W9 1/20 0.52
SRC P12931 1/20 0.51
MAOA P21397 7/20 0.49
MAOB P27338 7/20 0.49
CHRM2 P08172 1/20 0.47
CHRM1 P11229 1/20 0.47
CHRM3 P20309 1/20 0.47
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
HPGD P15428 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
ALDH1A1 P00352 2/20 0.44
POLB P06746 1/20 0.43
DRD1 P21728 1/20 0.42

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
SCHEMBL29394922 1.00 PIM1 (0.52) PIM1PIM2SRCMAOAMAOB
SCHEMBL27676782 0.95 PIM1 (0.49) PIM1PIM2SRCMAOAMAOB
SCHEMBL31395242 0.88 PIM1 (0.50) PIM1PIM2SRCMAOAMAOB
SCHEMBL31556430 0.88 SRC (0.45) PIM1PIM2SRCMAOAMAOB
SCHEMBL24512554 0.88 SRC (0.45) PIM1PIM2SRCMAOAMAOB
SCHEMBL18002541 0.87 PIM1 (0.46) PIM1PIM2SRCMAOAMAOB
SCHEMBL5576877 0.85 SRC (0.49) PIM1PIM2SRCMAOAMAOB
SCHEMBL896842 0.84 PIM1 (0.56) PIM1PIM2SRCMAOAMAOB
SCHEMBL18002211 0.83 DRD1 (0.50) PIM1PIM2CHRM2CHRM1CHRM3
SCHEMBL21287982 0.82 PIM1 (0.50) PIM1PIM2CHRM2CHRM1CHRM3

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 1124 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115093410-A Preparation method of beta-carboline compound 南京工业大学 2022-09-23 CN claimed
CN-113929695-A Sulfenimide psoralen derivatives, and preparation method and application thereof 南开大学 2022-01-14 CN claimed
CN-110003200-A P2X7 regulator 詹森药业有限公司 2019-07-12 CN claimed
CN-105209464-B P2X7 modulators 詹森药业有限公司 2019-01-01 CN claimed
CN-108395396-A A kind of preparation method of chirality vicinal amino alcohols intermediate and antagonist and the like 复旦大学 2018-08-14 CN claimed
EP-2970267-B3 P2X7 MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2018-05-30 EP claimed
US-9783537-B2 3-(4-ethylnylphenyl) pyridopyrimidinone compounds and process for preparation thereof useful as potential anticancer agents COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2017-10-10 US claimed
US-20160222006-A1 3-(4-Ethylnylphenyl) Pyridopyrimidinone Compounds and Process for Preparation Thereof Useful As Potential Anticancer Agents COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2016-08-04 US claimed
CN-105209464-A P2x7 modulators JANSSEN PHARMACEUTICA NV 2015-12-30 CN claimed
WO-2015025326-A1 3-(4-ETHYNYLPHENYL) PYRIDOPYRIMIDINONE COMPOUNDS AND PROCESS FOR PREPARATION THEREOF USEFUL AS POTENTIAL ANTIC ANCER AGENTS COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2015-02-26 WO claimed
CN-102149379-A Methods of modulating hepatocyte growth factor (scatter factor) activity and small molecule modulator compositions of hepatocyte growth factor (scatter factor) activity ANGION BIOMEDICA CORP 2011-08-10 CN claimed
US-20070219266-A1 N-Acylated-3-(Benzoyl)-Pyrrolidines as 11-Beta-HSD1 Inhibitors Useful for the Treatment of Metabolic Disorders ASTRAZENECA AB (SE) 2007-09-20 US claimed
US-20070112000-A1 Chemical compounds ASTRAZENECA R&D ALDERLEY (GB) 2007-05-17 US claimed
EP-1684757-A1 SUBSTITUTED PIPERIDINES FOR THE TREATMENT OF METABOLIC SYNDROME AstraZeneca AB (SE) 2006-08-02 EP claimed
EP-1685101-A1 N-ACYLATED-3-(BENZOYL)-PYRROLIDINES AS 11-BETA-HSD1 INHIBITORS USEFUL FOR THE TREATMENT OF METABOLIC DISORDERS. AstraZeneca AB (SE) 2006-08-02 EP claimed
US-20060084176-A1 Detection of uronium salts YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM (IL) 2006-04-20 US claimed
WO-2005046685-A1 SUBSTITUTED PIPERIDINES FOR THE TREATMENT OF METABOLIC SYNDROME ASTRAZENECA AB (SE) 2005-05-26 WO claimed
WO-2005047250-A1 N-ACYLATED-3- (BENZOYL) - PYRROLIDINES AS 11-BETA-HSD1 INHIBITORS USEFUL FOR THE TREATMENT OF METABOLIC DISORDERS. ASTRAZENECA AB (SE) 2005-05-26 WO claimed
US-20040132807-A1 Aurones as telomerase inhibitors PHARMACIA ITALIA SPA (IT) 2004-07-08 US claimed
CN-1076448-A Novel herbicide R P AGRICULTURE LTD (GB) 1993-09-22 CN claimed

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-20070219266-A1 N-Acylated-3-(Benzoyl)-Pyrrolidines as 11-Beta-HSD1 Inhibitors Useful for the Treatment of Metabolic Disorders HSD11B1, HSD3B1, HSD17B1 PIM1 2682/4885PIM2 3792/4885SRC 4545/4885
US-20070112000-A1 Chemical compounds HSD11B1, CYP11B1, HSD11B2 PIM1 4336/4885PIM2 4769/4885SRC 4132/4885
US-20160222006-A1 3-(4-Ethylnylphenyl) Pyridopyrimidinone Compounds and Process for Preparation Thereof Useful As Potential Anticancer Agents CBR3, HCCS, CYP3A4 PIM1 439/4885PIM2 322/4885SRC 2965/4885
US-20040132807-A1 Aurones as telomerase inhibitors TERT, TERF2, TERF2IP PIM1 555/4885PIM2 1095/4885SRC 1579/4885

“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.