SCHEMBL160593

SCHEMBL160593

COc1cc2ncnc(N)c2cc1N

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 4/20 0.52
EGFR P00533 4/20 0.51
PDE5A O76074 1/20 0.50
PI4KA P42356 1/20 0.47
PI4K2B Q8TCG2 1/20 0.47
PI4K2A Q9BTU6 1/20 0.47
PI4KB Q9UBF8 1/20 0.47
KIT P10721 2/20 0.47
RET P07949 2/20 0.43
KDR P35968 2/20 0.43
ENPP1 P22413 2/20 0.43
LCK P06239 1/20 0.42
FLT3 P36888 1/20 0.41
POLB P06746 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
GAK O14976 1/20 0.41
SRC P12931 1/20 0.41
CLK1 P49759 1/20 0.41
ABCG2 Q9UNQ0 1/20 0.41

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
SCHEMBL29761271 1.00 MAP4K4 (0.52) MAP4K4EGFRPDE5API4KAPI4K2B
SCHEMBL3166753 0.89 PDE5A (0.57) MAP4K4EGFRPDE5API4KAPI4K2B
SCHEMBL30103402 0.89 PDE5A (0.57) MAP4K4EGFRPDE5API4KAPI4K2B
SCHEMBL19381685 0.84 EGFR (0.50) EGFRKITRETKDRENPP1
SCHEMBL31469297 0.83 EGFR (0.49) EGFRKITRETKDRENPP1
SCHEMBL8230611 0.83 EGFR (0.51) MAP4K4EGFRPDE5API4KAPI4K2B
SCHEMBL30968992 0.83 EGFR (0.51) MAP4K4EGFRPDE5API4KAPI4K2B
SCHEMBL28704127 0.83 EGFR (0.49) EGFRKITRETKDRENPP1
SCHEMBL26581822 0.83 MAP4K4 (0.49) MAP4K4EGFRPI4KAPI4K2BPI4K2A
Hydrochloric Acid SCHEMBL28068945 0.81 EGFR (0.48) EGFRKITRETKDRLCK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023195773-A1 HETEROARYL DERIVATIVE AND USE THEREOF 보로노이 주식회사 2023-10-12 WO disclosed
WO-2023195773-A1 HETEROARYL DERIVATIVE AND USE THEREOF 보로노이 주식회사 2023-10-12 WO disclosed
US-20230025510-A1 BIARYL ETHER-TYPE QUINAZOLINE DERIVATIVES DAIICHI SANKYO COMPANY, LIMITED (JP) 2023-01-26 US disclosed
CN-112707869-B Dacotinib impurity and preparation method thereof 扬子江药业集团有限公司 2022-03-22 CN disclosed
CN-108659005-B Quinazoline derivatives as EGFR inhibitors 南京明德新药研发股份有限公司 2019-05-07 CN disclosed
CN-108640928-B Quinazoline compounds as EGFR inhibitor 南京明德新药研发股份有限公司 2019-05-03 CN disclosed
EP-2611797-B1 QUINOLINE OR QUINAZOLINE DERIVATIVES WITH APOPTOSIS INDUCING ACTIVITY ON CELLS HANMI SCIENCE CO LTD (KR) 2016-12-28 EP disclosed
CN-103237801-B Quinoline or quinazoline derivatives having apoptosis-inducing activity on cells HANMI HOLDINGS Co.,Ltd. (KR) 2015-11-25 CN disclosed
US-8835458-B2 Quinoline or quinazoline derivatives with apoptosis inducing activity on cells HANMI SCIENCE CO., LTD (KR) 2014-09-16 US disclosed
EP-2611797-A2 QUINOLINE OR QUINAZOLINE DERIVATIVES WITH APOPTOSIS INDUCING ACTIVITY ON CELLS Hanmi Science Co., Ltd. (KR) 2013-07-10 EP disclosed
US-20130165386-A1 QUINOLINE OR QUINAZOLINE DERIVATIVES WITH APOPTOSIS INDUCING ACTIVITY ON CELLS HANMI SCIENCE CO., LTD (KR) 2013-06-27 US disclosed
WO-2012169785-A9 SYMMETRICALLY STRUCTURED QUINAZOLINE DERIVATIVES HANMI SCIENCE CO., LTD. (KR) 2013-05-23 WO disclosed
WO-2012030160-A2 QUINOLINE OR QUINAZOLINE DERIVATIVES WITH APOPTOSIS INDUCING ACTIVITY ON CELLS HANMI HOLDINGS CO., LTD. (KR) 2012-03-08 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-20130165386-A1 QUINOLINE OR QUINAZOLINE DERIVATIVES WITH APOPTOSIS INDUCING ACTIVITY ON CELLS CASP7, API5, BAX MAP4K4 1375/4885EGFR 4690/4885PDE5A 2095/4885
US-20230025510-A1 BIARYL ETHER-TYPE QUINAZOLINE DERIVATIVES ERBB2, EGFR, ERBB3 MAP4K4 166/4885EGFR 2/4885PDE5A 4138/4885

“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.