SCHEMBL5313776

SCHEMBL5313776

Cc1nc2ccc(Cl)cc2c(=O)[nH]1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYMS P04818 2/20 0.72
KDM4E B2RXH2 3/20 0.62
HSD17B10 Q99714 2/20 0.62
LMNA P02545 1/20 0.62
PARP1 P09874 3/20 0.59
ALDH1A1 P00352 2/20 0.59
TNKS2 Q9H2K2 2/20 0.59
NPC1 O15118 1/20 0.58
USP2 O75604 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
IP6K1 Q92551 1/20 0.57
TRPV1 Q8NER1 1/20 0.57
POLB P06746 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
HTR3A P46098 1/20 0.56

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
SCHEMBL31463101 1.00 TYMS (0.72) TYMSKDM4EHSD17B10LMNAPARP1
SCHEMBL6670119 0.86 TYMS (0.63) TYMSKDM4EHSD17B10LMNAPARP1
SCHEMBL6651474 0.84 TYMS (1.00) TYMSPARP1ALDH1A1PIM1PIM2
SCHEMBL29535139 0.82 KDM4E (0.66) TYMSKDM4EHSD17B10LMNAPARP1
SCHEMBL7263029 0.82 KDM4E (0.66) TYMSKDM4EHSD17B10LMNAPARP1
SCHEMBL3423481 0.82 KDM4E (0.59) TYMSKDM4EHSD17B10PARP1TNKS2
SCHEMBL3115005 0.79 TYMS (0.72) TYMSKDM4EHSD17B10LMNAPARP1
SCHEMBL28637729 0.79 KDM4E (0.62) TYMSKDM4EHSD17B10LMNAPARP1
SCHEMBL6014177 0.79 TYMS (0.72) TYMSKDM4EHSD17B10LMNAPARP1
SCHEMBL29900526 0.79 TYMS (0.72) TYMSKDM4EHSD17B10LMNAPARP1

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 12 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
US-9951029-B2 Styryl quinazoline derivatives as pharmaceutically active agents VICHEM CHEMIE KUTATÓ KFT. (HU) 2018-04-24 US disclosed
EP-3008053-B1 PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS GILEAD CALISTOGA LLC (US) 2018-03-21 EP disclosed
US-9411230-B2 Pattern forming method, electron beam-sensitive or extreme ultraviolet-sensitive composition, resist film, method for manufacturing electronic device using the same, and electronic device FUJIFILM CORPORATION (JP) 2016-08-09 US disclosed
US-20160194291-A1 STYRYL QUINAZOLINE DERIVATIVES AS PHARMACEUTICALLY ACTIVE AGENTS VICHEM CHEMIE KUTATÓ KFT. (HU) 2016-07-07 US disclosed
EP-3030550-A1 STYRYL QUINAZOLINE DERIVATIVES AS PHARMACEUTICALLY ACTIVE AGENTS Vichem Chemie Kutató KFT (HU) 2016-06-15 EP disclosed
WO-2015019121-A1 STYRYL QUINAZOLINE DERIVATIVES AS PHARMACEUTICALLY ACTIVE AGENTS VICHEM CHEMIE KUTATÓ KFT. (HU) 2015-02-12 WO disclosed
US-20140212796-A1 PATTERN FORMING METHOD, ELECTRON BEAM-SENSITIVE OR EXTREME ULTRAVIOLET-SENSITIVE COMPOSITION, RESIST FILM, METHOD FOR MANUFACTURING ELECTRONIC DEVICE USING THE SAME, AND ELECTRONIC DEVICE FUJIFILM CORPORATION (JP) 2014-07-31 US disclosed
US-8183276-B2 Therapeutic agents MERCK SHARP & DOHME CORP. 2012-05-22 US disclosed
WO-2007042669-A2 DERIVATIVES OF 4-AMINO-QUINAZOLINE, PREPARATION METHOD THEREOF AND USE OF SAME IN THERAPEUTICS SANOFIS-AVENTIS (FR) 2007-04-19 WO disclosed
EP-1230225-A2 PHARMACEUTICALLY ACTIVE 4-SUBSTITUTED PYRIMIDINE DERIVATIVES ELI LILLY AND COMPANY (US) 2002-08-14 EP disclosed
WO-2001032632-A2 PHARMACEUTICALLY ACTIVE 4-SUBSTITUTED PYRIMIDINE DERIVATIVES ELI LILLY AND COMPANY (US) 2001-05-10 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 (1 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-20160194291-A1 STYRYL QUINAZOLINE DERIVATIVES AS PHARMACEUTICALLY ACTIVE AGENTS FLT3, BCR, STK3 TYMS 231/4885KDM4E 4561/4885HSD17B10 2053/4885

“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.