SCHEMBL1663334

SCHEMBL1663334

Cc1cc(N)cnc1C(F)(F)F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 4/20 0.37
NOS2 P35228 4/20 0.37
NOS1 P29475 3/20 0.37
UHRF1 Q96T88 1/20 0.35
HSP90AA1 P07900 1/20 0.35
HSP90AB1 P08238 1/20 0.35
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.34
MAPT P10636 2/20 0.34
HTT P42858 2/20 0.34
XBP1 P17861 1/20 0.34
CA2 P00918 1/20 0.33
CHKA P35790 1/20 0.33
NR2E1 Q9Y466 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
AGBL2 Q5U5Z8 1/20 0.33
KEAP1 Q14145 1/20 0.32
TRPV1 Q8NER1 1/20 0.32
PDE10A Q9Y233 1/20 0.31

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
SCHEMBL24107257 0.80 NOS3 (0.38) NOS3NOS2NOS1UHRF1KDM4E
SCHEMBL30591803 0.78 CA2 (0.33) NOS3NOS2ALDH1A1MAPTCA2
SCHEMBL13921765 0.77 NOS3 (0.48) NOS3NOS2NOS1KDM4EMAPT
SCHEMBL26177172 0.77 ALDH1A1 (0.39) NOS3NOS2KDM4EALDH1A1MAPT
SCHEMBL29911691 0.77 MAPT (0.36) NOS3NOS2ALDH1A1MAPTHTT
SCHEMBL1665585 0.76 AURKA (0.38) HSP90AA1HSP90AB1KDM4EALDH1A1MAPT
SCHEMBL29912000 0.76 KDM4E (0.32) KDM4E
SCHEMBL22208807 0.76 AGBL2 (0.43) AGBL2
SCHEMBL19117728 0.74 AGBL2 (0.40) ALDH1A1HTTAGBL2LMNAPOLB
SCHEMBL20406231 0.74 MEN1 (0.37) HSP90AA1HSP90AB1KDM4EALDH1A1MAPT

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12304907-B2 Compounds and methods of use TANGO THERAPEUTICS, INC. (US) 2025-05-20 US disclosed
US-20240279219-A1 COMPOUNDS AND METHODS OF USE TANGO THERAPEUTICS, INC. 2024-08-22 US disclosed
US-20240228478-A1 COMPOUNDS AND METHODS OF USE TANGO THERAPEUTICS, INC. 2024-07-11 US disclosed
US-20230312481-A1 SUBSTITUTED (PHTHALAZIN-1-YLMETHYL)UREAS, SUBSTITUTED N-(PHTHALAZIN-1-YLMETHYL)AMIDES, AND ANALOGUES THEREOF ARBUTUS BIOPHARMA CORP (CA) 2023-10-05 US disclosed
CN-116568677-A piperidin-1-yl-N-pyridin-3-yl-2-oxoacetamide derivatives useful for the treatment of MTAP deficiency and/or MTA accumulating cancers 探戈医药股份有限公司 2023-08-08 CN disclosed
US-20220127256-A1 COMPOUNDS AND METHODS OF USE TANGO THERAPEUTICS, INC. 2022-04-28 US disclosed
EP-2305652-A2 Trisubstituted quinazolinone derivatives as vanilloid antagonists Novartis AG (CH) 2011-04-06 EP disclosed
EP-2305652-A2 Trisubstituted quinazolinone derivatives as vanilloid antagonists Novartis AG (CH) 2011-04-06 EP disclosed
US-20090082365-A1 Trisubstituted Quinazolinone Derivatives as Vanilloid Antagonists NOVARTIS AG 2009-03-26 US disclosed
US-20090082365-A1 Trisubstituted Quinazolinone Derivatives as Vanilloid Antagonists NOVARTIS AG 2009-03-26 US disclosed
US-20090082365-A1 Trisubstituted Quinazolinone Derivatives as Vanilloid Antagonists NOVARTIS AG 2009-03-26 US disclosed
CN-101356160-A Trisubstituted quinazolinone derivatives as vanilloid antagonists JANSSEN PHARMACEUTICA NV (CH) 2009-01-28 CN disclosed
EP-1963283-A2 TRISUBSTITUTED QUINAZOLINONE DERIVATIVES AS VANILLOID ANTAGONISTS Novartis AG (CH) 2008-09-03 EP disclosed
WO-2007065662-A2 TRISUBSTITUTED QUINAZOLINONE DERIVATIVES AS VANILLOID ANTAGONISTS NOVARTIS AG (CH) 2007-06-14 WO disclosed
WO-2007065662-A2 TRISUBSTITUTED QUINAZOLINONE DERIVATIVES AS VANILLOID ANTAGONISTS NOVARTIS AG (CH) 2007-06-14 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 (6 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-20240279219-A1 COMPOUNDS AND METHODS OF USE F12, C1R, ABCG2 NOS3 556/4885NOS2 760/4885NOS1 619/4885
US-20230312481-A1 SUBSTITUTED (PHTHALAZIN-1-YLMETHYL)UREAS, SUBSTITUTED N-(PHTHALAZIN-1-YLMETHYL)AMIDES, AND ANALOGUES THEREOF NSD3, PML, NSD1 NOS3 3076/4885NOS2 3521/4885NOS1 3594/4885
US-12304907-B2 Compounds and methods of use F12, C1R, ABCG2 NOS3 556/4885NOS2 760/4885NOS1 619/4885
US-20220127256-A1 COMPOUNDS AND METHODS OF USE F12, C1R, ABCG2 NOS3 556/4885NOS2 760/4885NOS1 619/4885
US-20240228478-A1 COMPOUNDS AND METHODS OF USE F12, C1R, ABCG2 NOS3 556/4885NOS2 760/4885NOS1 619/4885
US-20090082365-A1 Trisubstituted Quinazolinone Derivatives as Vanilloid Antagonists TRPV1, TRPV3, TRPV5 NOS3 798/4885NOS2 1300/4885NOS1 1388/4885

“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.