SCHEMBL4765803

SCHEMBL4765803

C=CCc1c(Cl)nc(C)nc1Nc1ccc(C(F)(F)F)cc1C(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
MAPT P10636 2/20 0.35
POLB P06746 1/20 0.35
MAPK1 P28482 1/20 0.35
GAA P10253 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
LRRK2 Q5S007 2/20 0.35
MAPK3 P27361 3/20 0.34
RXRA P19793 2/20 0.33
NR4A2 P43354 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
LMNA P02545 2/20 0.33
EGFR P00533 1/20 0.33
PDGFRB P09619 1/20 0.33
KDR P35968 1/20 0.33
KDM4E B2RXH2 1/20 0.33
GLA P06280 1/20 0.33
HTT P42858 1/20 0.33
NLRP3 Q96P20 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
SCHEMBL5491121 0.90 LRRK2 (0.37) MEN1KMT2AMAPTPOLBMAPK1
SCHEMBL2191701 0.84 TRPV1 (0.36) MEN1KMT2ALRRK2MAPK3L3MBTL1
SCHEMBL4765655 0.79 MEN1 (0.34) MEN1KMT2AMAPTPOLBGAA
SCHEMBL2190430 0.79 EGFR (0.33) MEN1KMT2AMAPTPOLBGAA
SCHEMBL4503972 0.72 LRRK2 (0.38) MEN1KMT2AMAPTPOLBMAPK1
SCHEMBL5496929 0.72 CRHR1 (0.40) MEN1KMT2AMAPTPOLBMAPK1
SCHEMBL5496988 0.69 SMO (0.36) MEN1KMT2AMAPTPOLBGAA
SCHEMBL4763543 0.68 CACNA1B (0.35) MAPTRXRANR4A2
SCHEMBL3277032 0.66 GAA (0.39) MEN1KMT2AMAPTPOLBMAPK1
SCHEMBL9024724 0.62 GAA (0.46) MEN1KMT2AMAPTPOLBMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7462622-B2 Pyrrolo[2, 3-d] pyrimidine derivatives as corticotropin releasing factor antagonists GLAXO GROUP LIMITED (GB) 2008-12-09 US disclosed
EP-1395591-B1 CORTICOTROPIN RELEASING FACTOR ANTAGONISTS GLAXO GROUP LTD (GB) 2008-06-04 EP disclosed
EP-1383747-B1 FUSED PYRIMIDINES AS ANTAGONISTS OF THE CORTICOTROPIN RELEASING FACTOR (CRF) GLAXO GROUP LTD (GB) 2008-02-20 EP disclosed
US-7279474-B2 Substituted pyrrolo[2,3-d]pyrimidines as antagonists of the corticotropin releasing factor (CRF) GLAXO GROUP LIMITED (GB) 2007-10-09 US disclosed
US-20040176400-A1 Fused pyrimidines as antagonists of the corticotropin releasing factor (crf) GLAXO GROUP LIMITED (GB) 2004-09-09 US disclosed
EP-1395591-A1 CORTICOTROPIN RELEASING FACTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2004-03-10 EP disclosed
EP-1383747-A1 FUSED PYRIMIDINES AS ANTAGONISTS OF THE CORTICOTROPIN RELEASING FACTOR (CRF) GLAXO GROUP LIMITED (GB) 2004-01-28 EP disclosed
WO-2002100863-A1 CORTICOTROPIN RELEASING FACTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2002-12-19 WO disclosed
WO-2002088095-A1 FUSED PYRIMIDINES AS ANTAGONISTS OF THE CORTICOTROPIN RELEASING FACTOR (CRF) GLAXO GROUP LIMITED (GB) 2002-11-07 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 (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-20040176400-A1 Fused pyrimidines as antagonists of the corticotropin releasing factor (crf) CRH, CRHR1, CRHR2 MEN1 1506/4885KMT2A 4464/4885MAPT 3273/4885

“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.