SCHEMBL4028096

SCHEMBL4028096

Nc1ccc(OCc2ncccn2)c(Cl)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.54
MRGPRX4 Q96LA9 3/20 0.46
NPC1 O15118 4/20 0.43
RAB9A P51151 4/20 0.43
MAPT P10636 3/20 0.43
S1PR4 O95977 1/20 0.40
STAT3 P40763 1/20 0.40
TSHR P16473 2/20 0.40
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
TP53 P04637 1/20 0.40
HSP90AA1 P07900 1/20 0.40
HSP90AB1 P08238 1/20 0.40
CASP1 P29466 1/20 0.40
HTT P42858 1/20 0.40
ATM Q13315 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CYP3A4 P08684 1/20 0.39
HTR1A P08908 1/20 0.39

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
SCHEMBL159323 0.83 SYK (0.78) SYKHTR1ADRD2EGFRERBB2
SCHEMBL29638125 0.83 SYK (0.78) SYKHTR1ADRD2EGFRERBB2
Hydrochloric Acid SCHEMBL6239858 0.81 SYK (0.76) SYKSMN1; SMN2TP53HTTHTR1A
Ammonia Solution, Strong SCHEMBL23859934 0.81 SYK (0.76) SYKHTR1ADRD2EGFRERBB2
SCHEMBL30354882 0.80 SYK (0.43) SYKNPC1RAB9AMAPTTSHR
SCHEMBL27096917 0.79 SYK (0.47) SYKMRGPRX4NPC1RAB9AMAPT
SCHEMBL20584175 0.79 SYK (0.47) SYKMRGPRX4NPC1RAB9AMAPT
SCHEMBL30354815 0.79 GAA (0.58) SYKNPC1RAB9AMAPTTSHR
SCHEMBL632895 0.78 MRGPRX4 (0.57) SYKMRGPRX4NPC1RAB9AMAPT
SCHEMBL21835398 0.77 SYK (0.55) SYKMRGPRX4NPC1RAB9AMAPT

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-20220363666-A1 TYROSINE KINASE INHIBITOR COMPOSITIONS, METHODS OF MAKING AND METHODS OF USE BLACK DIAMOND THERAPEUTICS, INC. (US) 2022-11-17 US disclosed
EP-3856726-A1 QUINAZOLINE DERIVATIVES AS TYROSINE KINASE INHIBITOR, COMPOSITIONS, METHODS OF MAKING THEM AND THEIR USE Black Diamond Therapeutics, Inc. (US) 2021-08-04 EP disclosed
US-11034672-B1 Tyrosine kinase inhibitor compositions, methods of making and methods of use BLACK DIAMOND THERAPEUTICS, INC. (US) 2021-06-15 US disclosed
US-20210163447-A1 TYROSINE KINASE INHIBITOR COMPOSITIONS, METHODS OF MAKING AND METHODS OF USE BLACK DIAMOND THERAPEUTICS, INC. 2021-06-03 US disclosed
WO-2020068867-A1 QUINAZOLINE DERIVATIVES AS TYROSINE KINASE INHIBITOR, COMPOSITIONS, METHODS OF MAKING THEM AND THEIR USE BLACK DIAMOND THERAPEUTICS, INC. (US) 2020-04-02 WO disclosed
EP-1444210-B1 QUNAZOLINE DERIVATIVES AS ANTITUMOR AGENTS ASTRAZENECA AB (SE) 2009-02-18 EP disclosed
US-20070082921-A1 Quinazoline derivatives as antitumor agents ASTRAZENECA AB 2007-04-12 US disclosed
US-20050043336-A1 Quinazoline derivatives as antitumor agents ASTRAZENECA AB (SE) 2005-02-24 US disclosed
EP-1444210-A1 QUNAZOLINE DERIVATIVES AS ANTITUMOR AGENTS AstraZeneca AB (SE) 2004-08-11 EP disclosed
WO-2003040108-A1 QUINAZOLINE DERIVATIVES AS ANTITUMOR AGENTS ASTRAZENECA AB (SE) 2003-05-15 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 (5 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-11034672-B1 Tyrosine kinase inhibitor compositions, methods of making and methods of use ERBB2, ERBB3, EGFR SYK 102/4885MRGPRX4 3359/4885NPC1 4309/4885
US-20050043336-A1 Quinazoline derivatives as antitumor agents ERBB2, ERBB3, ABL1 SYK 318/4885MRGPRX4 1362/4885NPC1 4408/4885
US-20220363666-A1 TYROSINE KINASE INHIBITOR COMPOSITIONS, METHODS OF MAKING AND METHODS OF USE ERBB2, ERBB3, EGFR SYK 102/4885MRGPRX4 3359/4885NPC1 4309/4885
US-20070082921-A1 Quinazoline derivatives as antitumor agents ERBB2, EGFR, ERBB4 SYK 146/4885MRGPRX4 1072/4885NPC1 4538/4885
US-20210163447-A1 TYROSINE KINASE INHIBITOR COMPOSITIONS, METHODS OF MAKING AND METHODS OF USE ERBB2, ERBB3, EGFR SYK 102/4885MRGPRX4 3359/4885NPC1 4309/4885

“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.