SCHEMBL1360723

SCHEMBL1360723

O=c1[nH]cnc2ccc(C(F)(F)F)cc12

nearest known ligand 0.77

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 9/20 0.77
CHEK1 O14757 1/20 0.58
PIM1 P11309 1/20 0.58
AKT1 P31749 1/20 0.58
FLT3 P36888 1/20 0.58
PIM3 Q86V86 1/20 0.58
IP6K1 Q92551 8/20 0.54
SLC2A1 P11166 1/20 0.53
IP6K3 Q96PC2 5/20 0.52
PDPK1 O15530 1/20 0.51
CA12 O43570 1/20 0.51
ALOX15 P16050 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
CA9 Q16790 1/20 0.51
TNKS2 Q9H2K2 1/20 0.51
IP6K2 Q9UHH9 3/20 0.50
ACVR1 Q04771 1/20 0.49

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
SCHEMBL4619270 0.87 PARP1 (1.00) PARP1CHEK1PIM1AKT1FLT3
SCHEMBL29966835 0.87 PARP1 (1.00) PARP1CHEK1PIM1AKT1FLT3
SCHEMBL10280684 0.83 PARP1 (0.63) PARP1CHEK1PIM1AKT1FLT3
SCHEMBL19251312 0.78 PARP1 (0.56) PARP1CHEK1PIM1AKT1FLT3
SCHEMBL30101979 0.78 PARP1 (0.59) PARP1CHEK1PIM1AKT1FLT3
SCHEMBL18642669 0.78 PARP1 (0.51) PARP1CHEK1PIM1PIM3
SCHEMBL29709603 0.77 PARP1 (1.00) PARP1CHEK1PIM1AKT1FLT3
SCHEMBL2191067 0.77 PARP1 (1.00) PARP1CHEK1PIM1AKT1FLT3
SCHEMBL8622180 0.77 ACVR1 (0.73) PARP1CHEK1PIM1AKT1FLT3
SCHEMBL22042406 0.76 IP6K1 (0.61) PARP1CHEK1PIM1AKT1FLT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115260164-B Preparation method, structural composition and application of novel 4 (3H) -quinazolinone analogue in antitumor drugs 杭州星鳌生物科技有限公司 2024-03-26 CN disclosed
CN-115260164-A Preparation method and structural composition of novel 4 (3H) -quinazolinone analogue and application of analogue in antitumor drugs 杭州星鳌生物科技有限公司 2022-11-01 CN disclosed
US-10005739-B2 Quinazolinone and isoquinolinone derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2018-06-26 US disclosed
US-10005739-B2 Quinazolinone and isoquinolinone derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2018-06-26 US disclosed
US-10005739-B2 Quinazolinone and isoquinolinone derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2018-06-26 US disclosed
US-20160272595-A1 QUINAZOLINONE AND ISOQUINOLINONE DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2016-09-22 US disclosed
US-20160272595-A1 QUINAZOLINONE AND ISOQUINOLINONE DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2016-09-22 US disclosed
US-20160272595-A1 QUINAZOLINONE AND ISOQUINOLINONE DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2016-09-22 US disclosed
EP-3061749-A1 QUINAZOLINONE AND ISOQUINOLINONE DERIVATIVE Chugai Seiyaku Kabushiki Kaisha (JP) 2016-08-31 EP disclosed
EP-3061749-A1 QUINAZOLINONE AND ISOQUINOLINONE DERIVATIVE Chugai Seiyaku Kabushiki Kaisha (JP) 2016-08-31 EP disclosed
WO-2015164374-A1 IRAK INHIBITORS AND USES THEREOF NIMBUS IRIS, INC. (US) 2015-10-29 WO disclosed
WO-2015060373-A1 QUINAZOLINONE AND ISOQUINOLINONE DERIVATIVE 中外製薬株式会社 2015-04-30 WO disclosed
US-20120214807-A1 COMPOUNDS USEFUL AS ANTAGONISTS OF CCR2 MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-08-23 US disclosed
US-8067457-B2 Compounds useful as antagonists of CCR2 MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-11-29 US disclosed
US-20090197884-A1 Compounds Useful as Antagonists of CCR2 MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-08-06 US disclosed
WO-2007053498-A1 COMPOUNDS USEFUL AS ANTAGONISTS OF CCR2 MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-05-10 WO disclosed
WO-1993012795-A1 QUINAZOLIN-4(3H)-ONE DERIVATIVES AS ANTICOCCIDIAL AGENTS GLAZER EDWARD A (US) 1993-07-08 WO disclosed
US-4920224-A CHEMICAL INTERMEDIATES PFIZER INC. (US) 1990-04-24 US disclosed
US-4849518-A ANTIPROTOZOA IN POULTRY PFIZER INC. (US) 1989-07-18 US disclosed
US-4762838-A Quinazolin-4(3H)-one derivatives as anticoccidial agents PFIZER INC. (US) 1988-08-09 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 (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-20160272595-A1 QUINAZOLINONE AND ISOQUINOLINONE DERIVATIVE NQO2, SDHA, CYP3A5 PARP1 870/4885CHEK1 1511/4885PIM1 1289/4885
US-20120214807-A1 COMPOUNDS USEFUL AS ANTAGONISTS OF CCR2 CCR2, CCR1, CXCR3 PARP1 2282/4885CHEK1 4034/4885PIM1 3341/4885
US-20090197884-A1 Compounds Useful as Antagonists of CCR2 CCR2, CCR1, CXCR3 PARP1 2282/4885CHEK1 4034/4885PIM1 3341/4885
US-10005739-B2 Quinazolinone and isoquinolinone derivative NQO2, SDHA, CYP3A5 PARP1 870/4885CHEK1 1511/4885PIM1 1289/4885

“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.