SCHEMBL227215

SCHEMBL227215

O=[C]Nc1cccc(C(F)(F)F)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.53
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
HTT P42858 1/20 0.53
RAB9A P51151 1/20 0.53
ALDH1A1 P00352 3/20 0.51
RAPGEF4 Q8WZA2 1/20 0.51
GAA P10253 2/20 0.50
NPSR1 Q6W5P4 2/20 0.50
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
MMP2 P08253 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
FFAR1 O14842 1/20 0.50
CDK1 P06493 1/20 0.50
CCNB1 P14635 1/20 0.50
CCNA2 P20248 1/20 0.50
CDK2 P24941 1/20 0.50
CDK7 P50613 1/20 0.50
CCNH P51946 1/20 0.50

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
SCHEMBL2095604 0.85 MAPT (0.39) MAPTMEN1KMT2AHTTRAB9A
SCHEMBL7488150 0.85 MAPT (0.40) MAPTMEN1KMT2AHTTRAB9A
SCHEMBL5208376 0.81 MAPT (0.54) MAPTMEN1KMT2AHTTRAB9A
SCHEMBL7166763 0.81 MAPT (0.50) MAPTMEN1KMT2AHTTRAB9A
SCHEMBL2089837 0.81 HDAC8 (0.47) MAPTFFAR1CYP1A2CYP3A4MAPK1
SCHEMBL131765 0.79 MAPT (0.46) MAPTRAPGEF4CES2
SCHEMBL630874 0.79 MEN1 (0.42) MAPTMEN1KMT2AHTTRAB9A
SCHEMBL2925587 0.77 MAPT (0.58) MAPTMEN1KMT2AHTTRAB9A
SCHEMBL29748950 0.77 MAPT (0.58) MAPTMEN1KMT2AHTTRAB9A
SCHEMBL394991 0.77 KIF11 (0.70) MAPTMEN1KMT2AHTTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190330192-A1 SUBSTITUTED AZOLYLPYRROLONES AND AZOLYLHYDANTOINS AND SALTS THEREOF AND USE THEREOF AS HERBICIDAL ACTIVE SUBSTANCES BAYER AKTIENGESELLSCHAFT (DE) 2019-10-31 US claimed
EP-3558976-A1 SUBSTITUTED AZOLYLPYRROLONES AND AZOLYLHYDANTOINES AND SALTS THEREOF AND USE THEREOF AS HERBICIDAL ACTIVE SUBSTANCES Bayer CropScience Aktiengesellschaft (DE) 2019-10-30 EP claimed
EP-2004653-B1 3-SUBSTITUTED N-(ARYL- OR HETEROARYL)-PYRAZO[1,5-A]PYRIMIDINES AS KINASE INHIBITORS NOVARTIS AG (CH) 2009-12-30 EP claimed
US-20090275593-A1 3 Substituted N-(aryl- or heteroaryl)-pyrazolo[1,5-a]pyrimidines as Kinase Inhibitors NOVARTIS AG 2009-11-05 US claimed
CN-101460500-A 3-substituted N-(aryl- or heteroaryl)-pyrazo[1,5-a]pyrimidines as kinase inhibitors NOVARTIS AG (CH) 2009-06-17 CN claimed
EP-2004653-A1 3-SUBSTITUTED N-(ARYL- OR HETEROARYL)-PYRAZO[1,5-a]PYRIMIDINES AS KINASE INHIBITORS Novartis AG (CH) 2008-12-24 EP claimed
WO-2007113000-A1 3-SUBSTITUTED N-(ARYL- OR HETEROARYL)-PYRAZO[1,5-a]PYRIMIDINES AS KINASE INHIBITORS NOVARTIS AG (CH) 2007-10-11 WO claimed
EP-1189891-A1 TRIAZOLE COMPOUNDS AND COMBINATORIAL LIBRARIES THEREOF LION Bioscience AG (DE) 2002-03-27 EP claimed
US-6362342-B1 BIOSYNTHESIS; DRUG LIBRARIES LION BIOSCIENCE AG (DE) 2002-03-26 US claimed
WO-2001000594-A1 TRIAZOLE COMPOUNDS AND COMBINATORIAL LIBRARIES THEREOF LION BIOSCIENCE AG (DE) 2001-01-04 WO claimed
US-5238909-A For preemergence or postemergence use EASTMAN KODAK COMPANY (US) 1993-08-24 US claimed
EP-0476760-A2 4-substituted isoxazole herbicides EASTMAN KODAK COMPANY (US) 1992-03-25 EP claimed
US-5025034-A Thromboxane inhibitors NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1991-06-18 US claimed
US-4945106-A Prostaglandins NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1990-07-31 US claimed
US-4159331-A Antihypertensive 4-aminoquinolines THE UPJOHN COMPANY (US) 1979-06-26 US claimed
US-4032642-A SEDATIVES, TRANQUILIZERS A. H. ROBINS COMPANY, INCORPORATED (US) 1977-06-28 US claimed
US-3956296-A ANTIINFLAMMATORY, SEDATIVES, TRANQUILIZERS A. H. ROBINS COMPANY, INCORPORATED (US) 1976-05-11 US claimed
WO-2024071216-A1 PYRAZOLE COMPOUND AND PEST CONTROL AGENT CONTAINING SAME AS ACTIVE INGREDIENT 三井化学クロップ&ライフソリューション株式会社 2024-04-04 WO disclosed
US-4085144-A ANTIBACTERIAL STERLING DRUG INC. (US) 1978-04-18 US disclosed
US-4022833-A ANTIBACTERIAL AGENTS STERLING DRUG INC. (US) 1977-05-10 US 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 (2 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-20090275593-A1 3 Substituted N-(aryl- or heteroaryl)-pyrazolo[1,5-a]pyrimidines as Kinase Inhibitors TIE1, TEK, MATK MAPT 1353/4885MEN1 1920/4885KMT2A 439/4885
US-20190330192-A1 SUBSTITUTED AZOLYLPYRROLONES AND AZOLYLHYDANTOINS AND SALTS THEREOF AND USE THEREOF AS HERBICIDAL ACTIVE SUBSTANCES AGPS, AASDHPPT, HPD MAPT 4075/4885MEN1 2887/4885KMT2A 872/4885

“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.