SCHEMBL4878797

SCHEMBL4878797

Cc1nc2cc(F)ccc2c(=O)[nH]1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYMS P04818 6/20 0.63
PARP1 P09874 5/20 0.59
TNKS2 Q9H2K2 1/20 0.59
KDM4E B2RXH2 2/20 0.58
NPC1 O15118 1/20 0.58
USP2 O75604 1/20 0.58
ALDH1A1 P00352 1/20 0.58
GLA P06280 1/20 0.58
GAA P10253 1/20 0.58
MAPT P10636 1/20 0.58
HPGD P15428 1/20 0.58
RAB9A P51151 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
HSD17B10 Q99714 2/20 0.50
LMNA P02545 1/20 0.50
IP6K1 Q92551 1/20 0.47
PARP14 Q460N5 2/20 0.46
POLB P06746 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
TRPV1 Q8NER1 2/20 0.45

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
SCHEMBL4369801 0.86 TYMS (0.72) TYMSPARP1TNKS2KDM4ENPC1
SCHEMBL30704851 0.82 PARP1 (0.62) TYMSPARP1TNKS2KDM4ENPC1
SCHEMBL17460813 0.82 PARP1 (0.62) TYMSPARP1TNKS2KDM4ENPC1
SCHEMBL6670119 0.79 TYMS (0.63) TYMSPARP1TNKS2KDM4ENPC1
SCHEMBL29440611 0.79 TYMS (0.63) TYMSPARP1TNKS2KDM4ENPC1
SCHEMBL38651189 0.79 TYMS (0.47) TYMSPARP1TNKS2KDM4EALDH1A1
SCHEMBL26017739 0.79 PARP14 (0.49) TYMSPARP1TNKS2KDM4EALDH1A1
SCHEMBL3226572 0.79 TYMS (0.63) TYMSPARP1TNKS2KDM4ENPC1
SCHEMBL578054 0.79 PARP14 (0.46) TYMSPARP1TNKS2KDM4EHPGD
SCHEMBL17298079 0.79 TNKS2 (0.62) TYMSPARP1TNKS2KDM4ENPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2935246-B1 ISOQUINOLINONE OR QUINAZOLINONE PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS GILEAD CALISTOGA LLC (US) 2018-07-25 EP disclosed
EP-3008053-B1 PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS GILEAD CALISTOGA LLC (US) 2018-03-21 EP disclosed
WO-2009046536-A1 HALOGENATED QUINAZOLINYL NITROFURANS AS ANTIBACTERIAL AGENTS ULYSSES PHARMACEUTICAL PRODUCTS, INC. (CA) 2009-04-16 WO disclosed
US-20080275029-A1 Compounds for Treating Protein-Kinase Mediated Disorders ASTEX THERAPEUTICS LIMITED (GB) 2008-11-06 US disclosed
US-20080275029-A1 Compounds for Treating Protein-Kinase Mediated Disorders ASTEX THERAPEUTICS LIMITED (GB) 2008-11-06 US disclosed
US-20080275029-A1 Compounds for Treating Protein-Kinase Mediated Disorders ASTEX THERAPEUTICS LIMITED (GB) 2008-11-06 US disclosed
US-20080146562-A1 HALOGENATED QUINAZOLINYL NITROFURANS AS ANTIBACTERIAL AGENTS ULYSSES PHARMACEUTICAL PRODUCTS INC., 2008-06-19 US disclosed
US-20080146562-A1 HALOGENATED QUINAZOLINYL NITROFURANS AS ANTIBACTERIAL AGENTS ULYSSES PHARMACEUTICAL PRODUCTS INC., 2008-06-19 US disclosed
EP-1814552-A2 COMPOUNDS FOR TREATING PROTEIN-KINASE MEDIATED DISORDERS Astex Therapeutics Limited (GB) 2007-08-08 EP disclosed
WO-2006051290-A2 COMPOUNDS FOR TREATING PROTEIN-KINASE MEDIATED DISORDERS ASTEX THERAPEUTICS LIMITED (GB) 2006-05-18 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 (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-20080146562-A1 HALOGENATED QUINAZOLINYL NITROFURANS AS ANTIBACTERIAL AGENTS HRH3, HRH1, NQO2 TYMS 2570/4885PARP1 2980/4885TNKS2 3281/4885
US-20080275029-A1 Compounds for Treating Protein-Kinase Mediated Disorders CNKSR1, PRKCH, PRKAR2B TYMS 4517/4885PARP1 2645/4885TNKS2 2172/4885

“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.