SCHEMBL21541680

SCHEMBL21541680

Fc1c(Cl)cccc1Nc1ncnc2ccc(Br)cc12

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 9/20 0.65
CYP1A2 P05177 2/20 0.63
CYP2D6 P10635 2/20 0.63
CYP2C9 P11712 2/20 0.63
CYP2C19 P33261 2/20 0.63
ALDH1A1 P00352 2/20 0.63
SMN1; SMN2 Q16637 2/20 0.63
HPGD P15428 1/20 0.63
NPSR1 Q6W5P4 1/20 0.63
KDM4E B2RXH2 2/20 0.60
MEN1 O00255 2/20 0.60
KMT2A Q03164 2/20 0.60
NPC1 O15118 1/20 0.60
PRNP P04156 1/20 0.60
CYP3A4 P08684 1/20 0.60
MAPT P10636 1/20 0.60
HTT P42858 1/20 0.60
LMNA P02545 1/20 0.56
GLA P06280 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56

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
SCHEMBL30126169 1.00 EGFR (0.65) EGFRCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL29781316 0.86 EGFR (0.64) EGFR
SCHEMBL28120253 0.86 EGFR (0.64) EGFR
SCHEMBL26449347 0.86 EGFR (0.64) EGFRSMN1; SMN2KDM4EMAPTHTT
SCHEMBL30126805 0.85 EGFR (0.65) EGFRCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL20355308 0.85 SMN1; SMN2 (0.63) EGFRCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL26449954 0.85 CYP1A2 (0.63) EGFRCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL28120234 0.84 EGFR (0.65) EGFR
SCHEMBL2700855 0.84 EGFR (0.64) EGFRCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL22107820 0.83 EGFR (0.64) EGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230133958-A1 COMPOUNDS USEFUL IN MODULATING EGFR AND PI3K THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2023-05-04 US disclosed
US-20230133958-A1 COMPOUNDS USEFUL IN MODULATING EGFR AND PI3K THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2023-05-04 US disclosed
WO-2023069644-A1 COMPOUNDS USEFUL IN MODULATING EGFR AND PI3K MEKANISTIC THERAPEUTICS LLC (US) 2023-04-27 WO disclosed
WO-2022266458-A1 6-HETEROCYCLOALKYL-QUINAZOLINE DERIVATIVES AND USES THEREOF BLACK DIAMOND THERAPEUTICS, INC. (US) 2022-12-22 WO disclosed
EP-3567030-B1 QUINAZOLINE COMPOUND FOR EGFR INHIBITION MEDSHINE DISCOVERY INC (CN) 2022-02-09 EP disclosed
US-11040984-B2 Quinazoline compound for EGFR inhibition MEDSHINE DISCOVERY INC. (CN) 2021-06-22 US disclosed
US-11040984-B2 Quinazoline compound for EGFR inhibition MEDSHINE DISCOVERY INC. (CN) 2021-06-22 US disclosed
US-20200190107-A1 QUINAZOLINE COMPOUND FOR EGFR INHIBITION MEDSHINE DISCOVERY INC. (CN) 2020-06-18 US disclosed
US-20200190107-A1 QUINAZOLINE COMPOUND FOR EGFR INHIBITION MEDSHINE DISCOVERY INC. (CN) 2020-06-18 US disclosed
EP-3567030-A1 QUINAZOLINE COMPOUND FOR EGFR INHIBITION Medshine Discovery Inc. (CN) 2019-11-13 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 (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-11040984-B2 Quinazoline compound for EGFR inhibition EGFR, ERBB2, ERBB4 EGFR 1/4885CYP1A2 4038/4885CYP2D6 3234/4885
US-20200190107-A1 QUINAZOLINE COMPOUND FOR EGFR INHIBITION EGFR, ERBB2, ERBB4 EGFR 1/4885CYP1A2 4038/4885CYP2D6 3234/4885
US-20230133958-A1 COMPOUNDS USEFUL IN MODULATING EGFR AND PI3K EGFR, ERBB2, ERBB3 EGFR 1/4885CYP1A2 1771/4885CYP2D6 2539/4885

“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.