SCHEMBL3422491

SCHEMBL3422491

C#Cc1cccc(Nc2ncnc3cc(OC)c(N)cc23)c1

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 15/20 0.83
GAK O14976 3/20 0.83
FBP1 P09467 2/20 0.83
ALDH1A1 P00352 1/20 0.83
MAPT P10636 1/20 0.83
ABCG2 Q9UNQ0 2/20 0.69
ERBB2 P04626 6/20 0.69
RET P07949 3/20 0.69
KDR P35968 3/20 0.69
ILK Q13418 2/20 0.69
RIPK2 O43353 2/20 0.69
BUB1 O43683 2/20 0.69
STK10 O94804 2/20 0.69
ABL1 P00519 2/20 0.69
LCK P06239 2/20 0.69
LYN P07948 2/20 0.69
SRC P12931 2/20 0.69
FGFR2 P21802 2/20 0.69
FECH P22830 2/20 0.69
FLT3 P36888 2/20 0.69

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
SCHEMBL29615083 1.00 EGFR (0.83) EGFRGAKFBP1ALDH1A1MAPT
Hydrochloric Acid SCHEMBL28197803 0.99 EGFR (0.82) EGFRGAKFBP1ALDH1A1MAPT
SCHEMBL667895 0.91 EGFR (1.00) EGFRGAKFBP1ALDH1A1MAPT
Hydrochloric Acid SCHEMBL1507455 0.90 EGFR (0.98) EGFRGAKFBP1ALDH1A1MAPT
SCHEMBL14862082 0.89 FBP1 (0.84) EGFRGAKFBP1ALDH1A1MAPT
SCHEMBL20127269 0.89 EGFR (0.85) EGFRGAKFBP1ALDH1A1MAPT
SCHEMBL15946889 0.88 EGFR (0.85) EGFRGAKFBP1ALDH1A1MAPT
SCHEMBL644810 0.87 EGFR (0.83) EGFRGAKFBP1ALDH1A1MAPT
SCHEMBL1507690 0.87 EGFR (0.83) EGFRGAKFBP1ALDH1A1MAPT
SCHEMBL1507609 0.86 EGFR (0.78) EGFRGAKFBP1ALDH1A1MAPT

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 18 patents. 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-107674059-B Benzaheteroaromatic ring compound and preparation method and application thereof 中国药科大学 2020-04-14 CN disclosed
EP-2590966-B1 QUINAZOLINE COMPOUNDS HUTCHISON MEDIPHARMA LTD (CN) 2016-08-31 EP disclosed
US-9168253-B2 Quinazoline compounds HUTCHISON MEDIPHARMA LIMITED (CN) 2015-10-27 US disclosed
US-9168253-B2 Quinazoline compounds HUTCHISON MEDIPHARMA LIMITED (CN) 2015-10-27 US disclosed
EP-2318378-B1 QUINAZOLINE DERIVATIVES HUTCHISON MEDIPHARMA ENTPR LTD (BS) 2013-10-23 EP disclosed
US-20130217661-A1 QUINAZOLINE DERIVATIVES HUTCHISON MEDIPHARMA ENTERPRISES LIMITED (BS) 2013-08-22 US disclosed
US-20130217661-A1 QUINAZOLINE DERIVATIVES HUTCHISON MEDIPHARMA ENTERPRISES LIMITED (BS) 2013-08-22 US disclosed
US-20130172373-A1 QUINAZOLINE COMPOUNDS HUTCHISON MEDIPHARMA LIMITED (CN) 2013-07-04 US disclosed
US-20130172373-A1 QUINAZOLINE COMPOUNDS HUTCHISON MEDIPHARMA LIMITED (CN) 2013-07-04 US disclosed
US-8426430-B2 Quinazoline derivatives HUTCHISON MEDIPHARMA ENTERPRISES LIMITED (BS) 2013-04-23 US disclosed
US-8426430-B2 Quinazoline derivatives HUTCHISON MEDIPHARMA ENTERPRISES LIMITED (BS) 2013-04-23 US disclosed
WO-2012000356-A1 QUINAZOLINE COMPOUNDS HUTCHISON MEDIPHARMA LIMITED (CN) 2012-01-05 WO disclosed
WO-2012000182-A1 QUINAZOLINE COMPOUNDS HUTCHISON MEDIPHARMA LIMITED (CN) 2012-01-05 WO disclosed
US-20100009958-A1 QUINAZOLINE DERIVATIVES HUTCHISON MEDIPHARMA ENTERPRISES LIMITED (BS) 2010-01-14 US 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-20130172373-A1 QUINAZOLINE COMPOUNDS EGFR, ABL1, ERBB2 EGFR 1/4885GAK 440/4885FBP1 2873/4885
US-20100009958-A1 QUINAZOLINE DERIVATIVES NQO2, ABL1, RECQL EGFR 1042/4885GAK 493/4885FBP1 3168/4885
US-20130217661-A1 QUINAZOLINE DERIVATIVES NQO2, ABL1, RECQL EGFR 1042/4885GAK 493/4885FBP1 3168/4885

“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.