SCHEMBL11903033

SCHEMBL11903033

COc1ccc(CNc2cc3c(N)nc(-c4ccc(Cl)c(Br)c4)nc3cn2)cc1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CLK4 Q9HAZ1 10/20 0.46
EGFR P00533 1/20 0.45
APP P05067 1/20 0.41
DYRK1A Q13627 6/20 0.41
SCD O00767 1/20 0.41
CLK1 P49759 3/20 0.41
CLK2 P49760 2/20 0.41
DYRK1B Q9Y463 2/20 0.41
CYP1A1 P04798 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP1B1 Q16678 1/20 0.40
ACP1 P24666 1/20 0.39
NCF1 P14598 1/20 0.38

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
SCHEMBL17476604 0.93 EGFR (0.45) CLK4EGFRAPPDYRK1ASCD
SCHEMBL11903385 0.92 EGFR (0.47) CLK4EGFRAPPDYRK1ACLK1
SCHEMBL11902826 0.92 CLK4 (0.53) CLK4EGFRAPPDYRK1ASCD
SCHEMBL868406 0.89 EGFR (0.45) CLK4EGFRAPPDYRK1ACLK1
SCHEMBL11903072 0.87 CLK4 (0.44) CLK4EGFRAPPDYRK1ASCD
SCHEMBL11903347 0.81 FYN (0.42) CLK4EGFRAPPDYRK1ACYP1A2
SCHEMBL868629 0.80 PTGS2 (0.44) CLK4EGFRAPPDYRK1ASCD
SCHEMBL11903365 0.80 SYK (0.44) CLK4
SCHEMBL17476607 0.80 CLK4 (0.41) CLK4EGFRAPPDYRK1ACLK1
SCHEMBL868759 0.79 CLK4 (0.52) CLK4EGFRAPPDYRK1ACYP1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230121116-A1 USE OF QUINAZOLINE-BASED TYROSINE KINASE INHIBITORS FOR THE TREATMENT OF CANCERS WITH NRG1 FUSIONS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2023-04-20 US disclosed
EP-4097140-A1 USE OF QUINAZOLINE-BASED TYROSINE KINASE INHIBITORS FOR THE TREATMENT OF CANCERS WITH NRG1 FUSIONS Board of Regents, The University of Texas System (US) 2022-12-07 EP disclosed
US-20220194940-A1 HETEROCYCLIC INHIBITORS OF TYROSINE KINASE BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2022-06-23 US disclosed
WO-2021155144-A1 USE OF QUINAZOLINE-BASED TYROSINE KINASE INHIBITORS FOR THE TREATMENT OF CANCERS WITH NRG1 FUSIONS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2021-08-05 WO disclosed
WO-2020219906-A1 HETEROCYCLIC INHIBITORS OF TYROSINE KINASE BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2020-10-29 WO disclosed
US-20160031877-A1 KINASE INHIBITORS, PRODRUG FORMS THEREOF AND THEIR USE IN THERAPY AUCKLAND UNISERVICES LIMITED (NZ) 2016-02-04 US disclosed
US-9101632-B2 Kinase inhibitors, prodrug forms thereof and their use in therapy AUCKLAND UNISERVICES LIMITED (NZ) 2015-08-11 US disclosed
US-20120202832-A1 KINASE INHIBITORS, PRODRUG FORMS THEREOF AND THEIR USE IN THERAPY AUCKLAND UNISERVICES LIMITED (NZ) 2012-08-09 US 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 (4 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-20160031877-A1 KINASE INHIBITORS, PRODRUG FORMS THEREOF AND THEIR USE IN THERAPY ERBB2, MAP3K3, ERBB3 CLK4 350/4885EGFR 110/4885APP 4639/4885
US-20220194940-A1 HETEROCYCLIC INHIBITORS OF TYROSINE KINASE ERBB2, ERBB3, EGFR CLK4 1108/4885EGFR 3/4885APP 4752/4885
US-20120202832-A1 KINASE INHIBITORS, PRODRUG FORMS THEREOF AND THEIR USE IN THERAPY ERBB2, MAP3K3, MAP3K19 CLK4 346/4885EGFR 110/4885APP 4608/4885
US-20230121116-A1 USE OF QUINAZOLINE-BASED TYROSINE KINASE INHIBITORS FOR THE TREATMENT OF CANCERS WITH NRG1 FUSIONS ERBB2, ERBB3, ERBB4 CLK4 508/4885EGFR 5/4885APP 4516/4885

“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.