SCHEMBL463850

SCHEMBL463850

COc1ccc2cc1OCCNC(=O)CCN(CCN1CCOCC1)Cc1cc(ccc1Cl)Nc1cc(ncn1)N2

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EGFR P00533 10/20 0.42
HTR2C P28335 3/20 0.36
HTR2B P41595 1/20 0.36
SRC P12931 5/20 0.35
KDR P35968 4/20 0.35
EPHA2 P29317 1/20 0.34
EPHB4 P54760 1/20 0.34
CSK P41240 1/20 0.34
TEK Q02763 1/20 0.34
HTR2A P28223 1/20 0.33

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
SCHEMBL463773 0.95 EGFR (0.39) EGFRHTR2CHTR2BSRCKDR
SCHEMBL463814 0.92 EGFR (0.38) EGFRSRC
SCHEMBL463804 0.89 EGFR (0.40) EGFRSRC
SCHEMBL414378 0.87 EGFR (0.39) EGFRSRC
SCHEMBL415865 0.87 EGFR (0.41) EGFRSRC
SCHEMBL463841 0.86 EGFR (0.40) EGFRSRC
SCHEMBL10266919 0.86 EGFR (0.40) EGFR
SCHEMBL413802 0.84 EGFR (0.36) EGFRSRC
SCHEMBL10258592 0.80 EGFR (0.38) EGFRSRC
SCHEMBL10258270 0.79 EGFR (0.39) EGFRSRC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8394955-B2 2,4 (4,6) pyrimidine derivatives JANSSEN PHARMACEUTICA N.V. (BE) 2013-03-12 US disclosed
US-8148388-B2 2,4 (4,6) pyrimidine derivatives JANSSEN PHARMACEUTICA, N.V. (BE) 2012-04-03 US disclosed
US-8148388-B2 2,4 (4,6) pyrimidine derivatives JANSSEN PHARMACEUTICA, N.V. (BE) 2012-04-03 US disclosed
US-20120065395-A1 2,4 (4,6) PYRIMIDINE DERIVATIVES FREYNE EDDY JEAN EDGARD (BE) 2012-03-15 US disclosed
US-20100160310-A1 2,4 (4,6) PYRIMIDINE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2010-06-24 US disclosed
US-20100160310-A1 2,4 (4,6) PYRIMIDINE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2010-06-24 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 (2 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-20120065395-A1 2,4 (4,6) PYRIMIDINE DERIVATIVES NR0B1, NR1H3, NCOA3 EGFR 1090/4885HTR2C 221/4885HTR2B 337/4885
US-20100160310-A1 2,4 (4,6) PYRIMIDINE DERIVATIVES NR1H3, NR1H2, NR0B1 EGFR 1611/4885HTR2C 233/4885HTR2B 398/4885

“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.