SCHEMBL2284267

SCHEMBL2284267

COc1cccc(Nc2ncccn2)c1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 1/20 0.72
▸ PIK3CG P48736 5/20 0.65
▸ PIK3CA P42336 4/20 0.65
▸ PIK3CB P42338 4/20 0.65
▸ MEN1 O00255 4/20 0.62
▸ KMT2A Q03164 4/20 0.62
▸ MAPK1 P28482 2/20 0.62
▸ MAPT P10636 1/20 0.62
▸ KCNH3 Q9ULD8 1/20 0.59
▸ SYK P43405 2/20 0.58
▸ ROCK1 Q13464 1/20 0.57
▸ PKM P14618 1/20 0.57
▸ HTT P42858 1/20 0.57
▸ POLB P06746 1/20 0.57
▸ IGF1R P08069 1/20 0.56
▸ NPC1 O15118 1/20 0.56
▸ RAB9A P51151 1/20 0.56
▸ GRM4 Q14833 2/20 0.56
▸ CCNA2 P20248 1/20 0.55
▸ CDK2 P24941 1/20 0.55

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
SCHEMBL10410879 0.86 EGFR (0.60) EGFRPIK3CGPIK3CAPIK3CBMEN1
SCHEMBL1377802 0.84 EGFR (1.00) EGFRPIK3CGPIK3CAPIK3CBMEN1
SCHEMBL91589 0.84 EGFR (0.74) EGFRPIK3CGPIK3CAPIK3CBMAPK1
SCHEMBL22191547 0.83 SYK (0.60) EGFRPIK3CGPIK3CAPIK3CBMEN1
SCHEMBL1085867 0.82 MEN1 (0.71) EGFRMEN1KMT2AMAPK1MAPT
SCHEMBL27692103 0.82 SYK (0.69) EGFRPIK3CGPIK3CAPIK3CBMEN1
SCHEMBL30754730 0.82 MEN1 (0.65) EGFRPIK3CGPIK3CAPIK3CBMEN1
Hydrochloric Acid SCHEMBL12813301 0.82 EGFR (0.71) EGFRPIK3CGPIK3CAPIK3CBKCNH3
SCHEMBL7466253 0.82 PIK3CG (0.71) EGFRPIK3CGPIK3CAPIK3CBMAPK1
SCHEMBL7968715 0.81 MEN1 (0.66) EGFRMEN1KMT2AMAPK1MAPT

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-20110195968-A1 THIAZOLES AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2011-08-11 — — US disclosed
US-20090030024-A1 THIAZOLES AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2009-01-29 — — US disclosed
EP-0233461-B2 4,5,6-Substituted-2-pyrimidinamines AMERICAN CYANAMID CO (US) 2002-05-29 — — EP 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-20090030024-A1 THIAZOLES AS FUNGICIDES CYP4X1, CYP4Z1, RDX EGFR 2324/4885PIK3CG 4241/4885PIK3CA 3293/4885
US-20110195968-A1 THIAZOLES AS FUNGICIDES CYP4X1, CYP4Z1, CYP3A4 EGFR 2165/4885PIK3CG 4256/4885PIK3CA 3359/4885

“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.

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