SCHEMBL1029334

SCHEMBL1029334

Nc1nc2cc(Br)ccc2c(=O)[nH]1

nearest known ligand 0.63

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TYMS P04818 16/20 0.63
QTRT1 Q9BXR0 1/20 0.59
DYRK1A Q13627 1/20 0.45
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44

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
SCHEMBL29964669 1.00 TYMS (0.63) TYMSQTRT1DYRK1AGAAMAPT
SCHEMBL6653029 0.80 TYMS (0.81) TYMS
SCHEMBL21089737 0.79 NPC1 (0.44) TYMSGAAMAPTNPSR1RXFP1
SCHEMBL29440611 0.79 TYMS (0.63) TYMSGAAMAPTNPSR1
SCHEMBL13102494 0.79 TYMS (0.63) TYMSQTRT1MAPT
SCHEMBL30012731 0.79 NPC1 (0.44) TYMSGAAMAPTNPSR1RXFP1
SCHEMBL3226572 0.79 TYMS (0.63) TYMSGAAMAPTNPSR1
SCHEMBL6455624 0.78 TYMS (1.00) TYMS
SCHEMBL25204007 0.76 ALDH1A1 (0.58) TYMSGAAMAPTNPSR1RXFP1
SCHEMBL4973391 0.76 KDM4E (0.63) MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12391675-B2 NLRP3 modulators INNATE TUMOR IMMUNITY, INC. (US) 2025-08-19 US disclosed
US-12187706-B2 NLRP3 modulators INNATE TUMOR IMMUNITY, INC. (US) 2025-01-07 US disclosed
EP-3911416-B1 SUBSTITUTED QUINAZOLINES AS NLRP3 MODULATORS, FOR USE IN THE TREATMENT OF CANCER INNATE TUMOR IMMUNITY INC (US) 2024-06-12 EP disclosed
US-20230278964-A1 2,4-DIAMINOQUINAZOLINE DERIVATIVES AND MEDICAL USES THEREOF Janssen Sciences Ireland Unlimited Company (IE) 2023-09-07 US disclosed
US-11597704-B2 2,4-diaminoquinazoline derivatives and medical uses thereof Janssen Sciences Ireland Unlimited Company (IE) 2023-03-07 US disclosed
EP-4059924-A1 2,4-DIAMINOQUINAZOLINE DERIVATIVES AND MEDICAL USES THEREOF Janssen Sciences Ireland Unlimited Company (IE) 2022-09-21 EP disclosed
US-20220241402-A1 COMBINATION OF HEPATITIS B VIRUS (HBV) VACCINES AND QUINAZOLINE DERIVATIVES Janssen Sciences Ireland Unlimited Company (IE) 2022-08-04 US disclosed
EP-3759083-B1 2,4-DIAMINOQUINAZOLINE DERIVATIVES AND USE THEREOF IN THE TREATMENT OF VIRUS INFECTIONS, CANCER OR ALLERGIES JANSSEN SCIENCES IRELAND UNLIMITED CO (IE) 2022-05-04 EP disclosed
US-20220089571-A1 NLRP3 MODULATORS INNATE TUMOR IMMUNITY INC (US) 2022-03-24 US disclosed
US-20220089572-A1 NLRP3 MODULATORS INNATE TUMOR IMMUNITY, INC. 2022-03-24 US disclosed
WO-2020255039-A1 COMBINATION OF HEPATITIS B VIRUS (HBV) VACCINES AND QUINAZOLINE DERIVATIVES Janssen Sciences Ireland Unlimited Company (IE) 2020-12-24 WO disclosed
CN-111868040-A 2, 4-diaminoquinazoline derivatives and medical uses thereof 爱尔兰詹森科学公司 2020-10-30 CN disclosed
WO-2020150113-A1 SUBSTITUTED QUINAZOLINES AS NLRP3 MODULATORS, FOR USE IN THE TREATMENT OF CANCER INNATE TUMOR IMMUNITY, INC. (US) 2020-07-23 WO disclosed
WO-2020150115-A1 NLRP3 MODULATORS INNATE TUMOR IMMUNITY, INC. (US) 2020-07-23 WO disclosed
WO-2020150113-A1 SUBSTITUTED QUINAZOLINES AS NLRP3 MODULATORS, FOR USE IN THE TREATMENT OF CANCER INNATE TUMOR IMMUNITY, INC. (US) 2020-07-23 WO disclosed
WO-2018086585-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND APPLICATIONS THEREOF 山东罗欣药业集团股份有限公司 2018-05-17 WO disclosed
EP-2270002-A1 Quinazoline derivatives as histamine H4-receptor inhibitors for use in the treatment of inflammatory disorders Vereniging voor Christelijk Hoger Onderwijs, Wetenschappelijk Onderzoek en Patiëntenzorg (NL) 2011-01-05 EP disclosed
WO-2010146173-A1 QUINAZOLINE DERIVATIVES AS HISTAMINE H4-RECEPT0R INHIBITORS FOR USE IN THE TREATMENT OF INFLAMMATORY DISORDERS VERENIGING VOOR CHRISTELIJK HOGER ONDERWIJS, WETENSCHAPPELIJK ONDERZOEK EN PATIENTENZORG (NL) 2010-12-23 WO disclosed
US-20090105477-A1 Quinazoline Protein Tyrosine Phosphatase Inhibitors BERTHEL STEVEN JOSEPH 2009-04-23 US disclosed
US-20090105477-A1 Quinazoline Protein Tyrosine Phosphatase Inhibitors BERTHEL STEVEN JOSEPH 2009-04-23 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 (8 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-20220089571-A1 NLRP3 MODULATORS NLRP3, NLRP1, PYCARD TYMS 1459/4885QTRT1 2278/4885DYRK1A 4866/4885
US-20090105477-A1 Quinazoline Protein Tyrosine Phosphatase Inhibitors PTPN5, PTPN1, PTPN7 TYMS 3478/4885QTRT1 1534/4885DYRK1A 128/4885
US-12391675-B2 NLRP3 modulators NLRP3, NLRP1, PYCARD TYMS 1491/4885QTRT1 2128/4885DYRK1A 4868/4885
US-12187706-B2 NLRP3 modulators NLRP3, NLRP1, PYCARD TYMS 1459/4885QTRT1 2278/4885DYRK1A 4866/4885
US-20220241402-A1 COMBINATION OF HEPATITIS B VIRUS (HBV) VACCINES AND QUINAZOLINE DERIVATIVES HAVCR2, IRF3, IFNG TYMS 1963/4885QTRT1 3561/4885DYRK1A 2980/4885
US-20230278964-A1 2,4-DIAMINOQUINAZOLINE DERIVATIVES AND MEDICAL USES THEREOF QDPR, PADI2, PEPD TYMS 812/4885QTRT1 1647/4885DYRK1A 533/4885
US-20220089572-A1 NLRP3 MODULATORS NLRP3, NLRP1, PYCARD TYMS 1491/4885QTRT1 2128/4885DYRK1A 4868/4885
US-11597704-B2 2,4-diaminoquinazoline derivatives and medical uses thereof HRH4, HRH3, HNMT TYMS 2770/4885QTRT1 1931/4885DYRK1A 1266/4885

“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.