SCHEMBL5215537

SCHEMBL5215537

Oc1ccc(-c2nn(C3CCC3)c(-c3ccc(O)cc3)c2-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 7/20 0.44
ESR2 Q92731 3/20 0.37
MAPK1 P28482 2/20 0.36
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
MAP2K4 P45985 1/20 0.36
MAPKAPK2 P49137 1/20 0.36
MAPKAPK3 Q16644 1/20 0.36
MAPK6 Q16659 1/20 0.36
USP7 Q93009 2/20 0.36
TDP1 Q9NUW8 1/20 0.35
EGFR P00533 5/20 0.35
PIK3CD O00329 4/20 0.35
ABL1 P00519 4/20 0.35
HCK P08631 4/20 0.35
SRC P12931 4/20 0.35
KDR P35968 4/20 0.35
PIK3CA P42336 4/20 0.35
PIK3CB P42338 4/20 0.35

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
SCHEMBL5213473 0.91 ESR1 (0.46) ESR1ESR2MAPK1MEN1MAPT
SCHEMBL5374823 0.90 ESR1 (0.47) ESR1ESR2MAPK1MEN1MAPT
SCHEMBL5215880 0.80 ESR1 (0.52) ESR1ESR2MEN1MAPTKMT2A
SCHEMBL5213225 0.80 ESR1 (0.49) ESR1MAPKAPK2EGFRABL1HCK
SCHEMBL5252401 0.77 ESR1 (0.44) ESR1ESR2MAPK1MEN1MAPT
SCHEMBL7830314 0.77 ESR1 (0.45) ESR1ESR2MAPK1MEN1MAPT
SCHEMBL5219865 0.75 ESR1 (0.46) ESR1MEN1MAPTKMT2AEGFR
SCHEMBL5219863 0.74 ESR1 (0.50) ESR1MAPK1MAPTKMT2AEGFR
SCHEMBL5216693 0.73 ESR1 (0.49) ESR1MAPK1MAPTKMT2AEGFR
SCHEMBL5215073 0.73 ESR1 (0.49) ESR1ESR2MAPK1MAPTKMT2A

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-RE39708-E1 Estrogen receptor modulators CHIRON CORPORATION (US) 2007-06-26 US disclosed
EP-1102753-B1 PYRAZOLES AS ESTROGEN RECEPTOR MODULATORS NOVARTIS VACCINES & DIAGNOSTIC (US) 2007-02-28 EP disclosed
US-6727273-B2 THERAPY FOR OSTEOPOROSIS, ANTICANCER AGENTS CHIRON CORPORATION 2004-04-27 US disclosed
US-20040077701-A1 Estrogen receptor modulators CHIRON CORPORATION (US) 2004-04-22 US disclosed
US-20040034081-A9 ESTROGEN RECEPTOR MODULATORS CHIRON CORPORATION 2004-02-19 US disclosed
US-20020111374-A1 Estrogen receptor modulators CHIRON CORPORATION 2002-08-15 US disclosed
US-6291505-B1 PYRAZOLE ESTROGEN RECEPTOR AGONIST AND ANTAGONIST CHIRON CORPORATION 2001-09-18 US disclosed
EP-1102753-A2 PYRAZOLES AS ESTROGEN RECEPTOR MODULATORS CHIRON CORPORATION (US) 2001-05-30 EP disclosed
WO-2000007996-A2 PYRAZOLES AS ESTROGEN RECEPTOR MODULATORS CHIRON CORPORATION (US) 2000-02-17 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 (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-20040077701-A1 Estrogen receptor modulators ESR1, ESR2, GPER1 ESR1 1/4885ESR2 2/4885MAPK1 1827/4885
US-20040034081-A9 ESTROGEN RECEPTOR MODULATORS ESR1, ESR2, GPER1 ESR1 1/4885ESR2 2/4885MAPK1 1827/4885
US-20020111374-A1 Estrogen receptor modulators ESR1, ESR2, GPER1 ESR1 1/4885ESR2 2/4885MAPK1 1827/4885

“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.