SCHEMBL5472599

SCHEMBL5472599

COc1ccc(Nc2ncnc3cc(OC)c(OC)cc23)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 15/20 1.00
LCK P06239 6/20 1.00
KDR P35968 8/20 0.81
RIPK2 O43353 2/20 0.79
EPHB2 P29323 1/20 0.79
RET P07949 3/20 0.78
FLT1 P17948 1/20 0.78
GAK O14976 1/20 0.78
STK10 O94804 1/20 0.78
FLT3 P36888 1/20 0.78
JAK3 P52333 1/20 0.78
AAK1 Q2M2I8 1/20 0.78
Q6ZSR9 Q6ZSR9 1/20 0.78
SLK Q9H2G2 1/20 0.78
IRAK4 Q9NWZ3 1/20 0.78
RPS6KA6 Q9UK32 1/20 0.78
ALK Q9UM73 1/20 0.78
CLK1 P49759 1/20 0.77
ABCG2 Q9UNQ0 1/20 0.77
MAPT P10636 1/20 0.74

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
Hydrochloric Acid SCHEMBL5479915 0.99 EGFR (1.00) EGFRLCKKDRRIPK2EPHB2
SCHEMBL31067666 0.90 KDR (1.00) EGFRLCKKDR
SCHEMBL3533221 0.89 EGFR (0.80) EGFRLCKKDRRIPK2EPHB2
SCHEMBL5473778 0.89 EGFR (0.80) EGFRLCKKDRRIPK2EPHB2
SCHEMBL5467825 0.89 EGFR (1.00) EGFRLCKKDRRIPK2EPHB2
SCHEMBL1387206 0.88 EGFR (1.00) EGFRLCKKDRRIPK2EPHB2
SCHEMBL29385451 0.88 EGFR (1.00) EGFRLCKKDRRIPK2EPHB2
SCHEMBL1387182 0.87 EGFR (0.94) EGFRLCKKDRRIPK2EPHB2
SCHEMBL5473780 0.87 EGFR (0.78) EGFRLCKKDRRIPK2EPHB2
Hydrochloric Acid SCHEMBL5473795 0.87 EGFR (0.80) EGFRLCKKDRRIPK2RET

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210002291-A1 ISOIDIDE DERIVATIVES AND METHODS OF MAKING AND USING SAME RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY 2021-01-07 US disclosed
US-10548897-B2 KSR antagonists ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) 2020-02-04 US disclosed
WO-2017040459-A1 IMPROVED SOLUBILITY FOR TARGET COMPOUNDS Aunova Medchem LLC (US) 2017-03-09 WO disclosed
WO-2016168704-A1 KSR ANTAGONISTS ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) 2016-10-20 WO disclosed
US-8513267-B2 4-anilinoquinazoline derivatives with adenosine-kinase inhibitor properties UNIVERSIDADE ESTADUAL DE CAMPINAS-UNICAMP (BR) 2013-08-20 US disclosed
EP-1737832-B1 4-ANILINOQUINAZOLINE DERIVATIVES WITH ADENOSINE-KINASE INHIBITORY PROPERTIES UNICAMP (BR) 2011-12-14 EP disclosed
US-20070060600-A1 4-Anilinequinazolines with adenosine-kiase inhibitor properties UNIVERSIDADE ESTADUAL DE CAMPINAS-UNICAMP (BR) 2007-03-15 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 (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-10548897-B2 KSR antagonists KSR1, KSR2, KRAS EGFR 182/4885LCK 728/4885KDR 1123/4885
US-20070060600-A1 4-Anilinequinazolines with adenosine-kiase inhibitor properties ADK, AK1, ADORA3 EGFR 3142/4885LCK 860/4885KDR 1289/4885
US-20210002291-A1 ISOIDIDE DERIVATIVES AND METHODS OF MAKING AND USING SAME MIF, ITGB7, ITGB4 EGFR 135/4885LCK 273/4885KDR 167/4885

“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.