SCHEMBL30939736

SCHEMBL30939736

COc1cc(N2CCOCC2)c(N)cc1Nc1ncc(Cl)c(Nc2ccccc2NS(C)(=O)=O)n1

nearest known ligand 0.77

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EGFR P00533 15/20 0.77
LRRK2 Q5S007 2/20 0.77
GSK3A P49840 1/20 0.65
MAPK15 Q8TD08 1/20 0.65
CAMKK2 Q96RR4 1/20 0.65
ZAP70 P43403 1/20 0.63
ALK Q9UM73 2/20 0.59
INSR P06213 1/20 0.59
ROS1 P08922 1/20 0.58
MAPK8 P45983 1/20 0.58
MAPK9 P45984 1/20 0.58
MAPK10 P53779 1/20 0.58

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
SCHEMBL27238014 1.00 EGFR (0.77) EGFRLRRK2GSK3AMAPK15CAMKK2
SCHEMBL30942576 0.91 EGFR (0.77) EGFRLRRK2ALKROS1
SCHEMBL27238002 0.88 EGFR (0.73) EGFRLRRK2GSK3AMAPK15CAMKK2
SCHEMBL29429981 0.87 EGFR (1.00) EGFRLRRK2GSK3AMAPK15CAMKK2
SCHEMBL1460537 0.87 EGFR (1.00) EGFRLRRK2GSK3AMAPK15CAMKK2
Hydrochloric Acid SCHEMBL29429990 0.86 EGFR (0.98) EGFRLRRK2GSK3AMAPK15CAMKK2
Hydrochloric Acid SCHEMBL17262629 0.86 EGFR (0.98) EGFRLRRK2GSK3AMAPK15CAMKK2
SCHEMBL23248551 0.86 EGFR (0.70) EGFRLRRK2GSK3AMAPK15CAMKK2
SCHEMBL23304015 0.86 EGFR (1.00) EGFRLRRK2GSK3AMAPK15CAMKK2
SCHEMBL28728686 0.82 ZAP70 (0.60) EGFRLRRK2CAMKK2ZAP70ALK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240343694-A1 PYRIMIDINE DERIVATIVE, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING CANCER COMPRISING SAME AS ACTIVE INGREDIENT KOREA RESERARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2024-10-17 US disclosed
EP-4382514-A1 PYRIMIDINE DERIVATIVE, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING CANCER COMPRISING SAME AS ACTIVE INGREDIENT Korea Research Institute of Chemical Technology (KR) 2024-06-12 EP disclosed
CN-118139847-A Pyrimidine derivatives, process for preparing the same, and pharmaceutical composition for preventing or treating cancer comprising the same as active ingredient 韩国化学研究院 2024-06-04 CN 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 (1 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-20240343694-A1 PYRIMIDINE DERIVATIVE, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING CANCER COMPRISING SAME AS ACTIVE INGREDIENT ERBB2, EGFR, DPYD EGFR 2/4885LRRK2 1303/4885GSK3A 3283/4885

“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.