SCHEMBL1507680

SCHEMBL1507680

C#Cc1cccc(Nc2ncnc3cc(OC)c([N+](=O)[O-])cc23)c1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 16/20 0.76
FBP1 P09467 3/20 0.76
GAK O14976 2/20 0.76
ALDH1A1 P00352 1/20 0.76
MAPT P10636 1/20 0.76
ABCG2 Q9UNQ0 3/20 0.64
ERBB2 P04626 3/20 0.63
PLK4 O00444 1/20 0.63
CIT O14578 1/20 0.63
AURKA O14965 1/20 0.63
EPHB6 O15197 1/20 0.63
SLC22A1 O15245 1/20 0.63
DAPK3 O43293 1/20 0.63
RIPK2 O43353 1/20 0.63
BUB1 O43683 1/20 0.63
KDM1A O60341 1/20 0.63
JAK2 O60674 1/20 0.63
RPS6KA4 O75676 1/20 0.63
STK17B O94768 1/20 0.63
STK10 O94804 1/20 0.63

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
SCHEMBL29615047 1.00 EGFR (0.76) EGFRFBP1GAKALDH1A1MAPT
Hydrochloric Acid SCHEMBL642049 0.99 EGFR (0.74) EGFRFBP1GAKALDH1A1MAPT
SCHEMBL14862652 0.90 FBP1 (0.76) EGFRFBP1GAKALDH1A1MAPT
SCHEMBL16212531 0.90 EGFR (0.78) EGFRFBP1GAKALDH1A1MAPT
SCHEMBL15928142 0.87 EGFR (0.62) EGFRFBP1GAKALDH1A1MAPT
SCHEMBL15928192 0.87 EGFR (0.62) EGFRFBP1GAKALDH1A1MAPT
SCHEMBL667895 0.86 EGFR (1.00) EGFRFBP1GAKALDH1A1MAPT
SCHEMBL19026906 0.86 FBP1 (0.65) EGFRFBP1GAKALDH1A1MAPT
SCHEMBL8088219 0.86 EGFR (0.79) EGFRFBP1GAKALDH1A1MAPT
Hydrochloric Acid SCHEMBL1507455 0.85 EGFR (0.98) EGFRFBP1GAKALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114394942-A Tyrosine kinase inhibitor and pharmaceutical application thereof 江苏康可得生物技术股份有限公司 2022-04-26 CN disclosed
CN-113264888-A Tyrosine kinase inhibitor and pharmaceutical application thereof 江苏康可得生物技术股份有限公司 2021-08-17 CN disclosed
CN-107556295-B Quinazoline derivatives and process for their preparation 正大天晴药业集团股份有限公司 2020-09-04 CN disclosed
EP-3050880-B1 QUINAZOLINE DERIVATIVES FOR THE TREATMENT OF CANCER CHIA TAI TIANQING PHARMACEUTICAL GROUP CO LTD (CN) 2019-06-19 EP disclosed
US-9725439-B2 Quinazoline derivative and preparation method therefor CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2017-08-08 US disclosed
US-9556191-B2 Aminoquinazoline derivatives and their salts and methods of use thereof SUNSHINE LAKE PHARMA CO., LTD. (CN) 2017-01-31 US disclosed
EP-3103799-A1 QUINAZOLINE DERIVATIVES OSI Pharmaceuticals, LLC (US) 2016-12-14 EP disclosed
EP-3050880-A1 QUINAZOLINE DERIVATIVE AND PREPARATION METHOD THEREFOR Chia Tai Tianqing Pharmaceutical Group Co.,Ltd (CN) 2016-08-03 EP disclosed
US-20160214964-A1 QUINAZOLINE DERIVATIVE AND PREPARATION METHOD THEREFOR CENTAURUS BIOPHARMA CO., LTD. (CN) 2016-07-28 US disclosed
EP-2163546-B1 Quinazoline derivatives PFIZER PROD INC (US) 2016-06-01 EP disclosed
EP-2295415-A1 Quinazoline derivatives OSI Pharmaceuticals, Inc. (US) 2011-03-16 EP disclosed
EP-2163546-A1 Quinazoline derivatives Pfizer Products Incorporated (US) 2010-03-17 EP disclosed
US-20100009958-A1 QUINAZOLINE DERIVATIVES HUTCHISON MEDIPHARMA ENTERPRISES LIMITED (BS) 2010-01-14 US disclosed
WO-2010002845-A2 QUINAZOLINE DERIVATIVES HUTCHISON MEDIPHARMA ENTERPRISES LIMITED (BS) 2010-01-07 WO disclosed
US-RE41065-E1 Alkynl and azido-substituted 4-anilinoquinazolines PFIZER, INC. (US) 2009-12-29 US disclosed
EP-0817775-B1 QUINAZOLINE DERIVATIVES PFIZER (US) 2001-09-12 EP disclosed
EP-1110953-A1 Quinazoline derivatives PFIZER INC. (US) 2001-06-27 EP disclosed
US-5747498-A Alkynyl and azido-substituted 4-anilinoquinazolines PFIZER INC. (US) 1998-05-05 US disclosed
EP-0817775-A1 QUINAZOLINE DERIVATIVES PFIZER INC. (US) 1998-01-14 EP disclosed
WO-1996030347-A1 QUINAZOLINE DERIVATIVES PFIZER INC. (US) 1996-10-03 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-20100009958-A1 QUINAZOLINE DERIVATIVES NQO2, ABL1, RECQL EGFR 1042/4885FBP1 3168/4885GAK 493/4885
US-20160214964-A1 QUINAZOLINE DERIVATIVE AND PREPARATION METHOD THEREFOR WEE1, WEE2, EGFR EGFR 3/4885FBP1 1588/4885GAK 580/4885

“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.