SCHEMBL6986627

SCHEMBL6986627

Nc1ncnc2ccc([N+](=O)[O-])cc12

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.56
KDR P35968 1/20 0.56
ALK Q9UM73 1/20 0.53
PARP1 P09874 1/20 0.53
L3MBTL1 Q9Y468 2/20 0.50
PI4KA P42356 1/20 0.50
PI4K2B Q8TCG2 1/20 0.50
PI4K2A Q9BTU6 1/20 0.50
PI4KB Q9UBF8 1/20 0.50
XDH P47989 1/20 0.49
MAP4K4 O95819 3/20 0.49
ALDH1A1 P00352 4/20 0.48
MAPT P10636 2/20 0.48
HTT P42858 2/20 0.48
IRAK4 Q9NWZ3 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
GAA P10253 1/20 0.47
NCOA1 Q15788 1/20 0.47
NCOA3 Q9Y6Q9 1/20 0.47

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
Water SCHEMBL27920411 0.98 EGFR (0.55) EGFRKDRALKPARP1L3MBTL1
SCHEMBL1438135 0.88 EGFR (0.57) EGFRKDRALKPI4KAPI4K2B
SCHEMBL28813506 0.80 EGFR (0.56) EGFRKDRALKPARP1L3MBTL1
SCHEMBL1192812 0.80 ALK (0.60) EGFRKDRALKPARP1L3MBTL1
SCHEMBL155127 0.80 EGFR (0.56) EGFRKDRALKPARP1L3MBTL1
Hydrochloric Acid SCHEMBL2250729 0.79 EGFR (0.55) EGFRKDRALKPARP1L3MBTL1
SCHEMBL27537374 0.78 PARP1 (0.54) EGFRKDRALKPARP1L3MBTL1
SCHEMBL3974935 0.77 ACHE (0.52) ALDH1A1TDP1CYP3A4TSHR
SCHEMBL6202198 0.77 NR4A2 (0.53) EGFRKDRPARP1L3MBTL1XDH
SCHEMBL2993744 0.76 IRAK4 (0.53) EGFRKDRALKPARP1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115340541-A Preparation method of tocaintinib intermediate 上海艾洋化学科技有限公司 2022-11-15 CN claimed
CN-122079960-A Alkynyl quinazoline compounds 2026-05-26 CN disclosed
EP-4013749-B1 ALKYNYL QUINAZOLINE COMPOUNDS BLACK DIAMOND THERAPEUTICS INC (US) 2026-03-11 EP disclosed
CN-119390683-A Alkynyl quinazoline compounds 黑钻治疗公司 2025-02-07 CN disclosed
WO-2023195773-A1 HETEROARYL DERIVATIVE AND USE THEREOF 보로노이 주식회사 2023-10-12 WO disclosed
CN-115340541-A Preparation method of tocaintinib intermediate 上海艾洋化学科技有限公司 2022-11-15 CN disclosed
CN-114787150-A Alkynyl quinazoline compounds 黑钻治疗公司 2022-07-22 CN disclosed
EP-4013749-A1 ALKYNYL QUINAZOLINE COMPOUNDS Black Diamond Therapeutics, Inc. (US) 2022-06-22 EP disclosed
CN-105705493-B Quinazoline derivative, preparation method, pharmaceutical composition and application thereof 安润医药科技(苏州)有限公司 2017-11-28 CN disclosed
CN-105705493-A Quinazoline derivative, preparation method, pharmaceutical composition and application thereof 安润医药科技(苏州)有限公司 2016-06-22 CN disclosed
CN-101356171-A N4-phenyl-quinazolin-4-amine derivatives and related compounds as ERBBI type receptor tyrosine kinase inhibitors for the treatment of proliferative diseases ARRAY BIOPHARMA INC (US) 2009-01-28 CN disclosed
US-6544981-B2 Anticoagulants, cardiovascular disorders BRISTOL-MYERS SQUIBB COMPANY 2003-04-08 US disclosed
EP-1294716-A1 LACTAM INHIBITORS OF FACTOR XA AND METHOD Bristol-Myers Squibb Company (US) 2003-03-26 EP disclosed
US-20020025957-A1 Lactam inhibitors of factor Xa and method BRISTOL-MYERS SQUIBB COMPANY 2002-02-28 US disclosed
WO-2001096331-A1 LACTAM INHIBITORS OF FACTOR XA AND METHOD BRISTOL-MYERS SQUIBB COMPANY (US) 2001-12-20 WO disclosed
US-4543356-A Quinazoline derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1985-09-24 US disclosed
EP-0030156-B1 QUINAZOLINE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1984-03-21 EP disclosed
US-4429126-A ANTIASTHMA FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1984-01-31 US disclosed
US-4377580-A ANTIALLERGENIC AGENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1983-03-22 US disclosed
EP-0030156-A1 Quinazoline derivatives, processes for their preparation and pharmaceutical compositions containing them FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1981-06-10 EP 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-20020025957-A1 Lactam inhibitors of factor Xa and method F9, F7, F11 EGFR 1395/4885KDR 2039/4885ALK 4242/4885

“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.