SCHEMBL5221728

SCHEMBL5221728

Oc1ccc(-c2n[nH]c(-c3ccc(O)cc3)c2Cc2cccc(O)c2)cc1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.44
HSP90AB1 P08238 1/20 0.44
FGFR1 P11362 4/20 0.42
CHEK1 O14757 6/20 0.42
FGFR2 P21802 2/20 0.41
FGFR3 P22607 2/20 0.41
MAPK1 P28482 1/20 0.40
MAP2K4 P45985 1/20 0.40
MAPKAPK2 P49137 1/20 0.40
MAPK6 Q16659 1/20 0.40
HTR1B P28222 1/20 0.40
CYP3A4 P08684 1/20 0.39
PTPN1 P18031 1/20 0.38
HSD17B1 P14061 1/20 0.38
HSD17B2 P37059 1/20 0.38

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
SCHEMBL7996516 0.87 RPS6KA3 (0.47) PDPK1HSP90AB1CHEK1
SCHEMBL17279842 0.75 HPGD (0.45) MAP2K4
SCHEMBL5218883 0.74 PDPK1 (0.45) PDPK1HSP90AB1FGFR1CHEK1FGFR2
SCHEMBL5216372 0.69 CDK4 (0.50)
SCHEMBL921375 0.68 ESR1 (0.64) MAPK1HTR1BCYP3A4HSD17B1HSD17B2
SCHEMBL70267 0.67 ENPP2 (0.65) MAPK1HTR1BCYP3A4
SCHEMBL30979264 0.67 ENPP2 (0.65) MAPK1HTR1BCYP3A4
SCHEMBL8011429 0.65 RPS6KA3 (0.69) FGFR1CHEK1MAPK1CYP3A4
SCHEMBL7820094 0.65 CHEK1 (0.49) FGFR1CHEK1MAPK1MAP2K4MAPKAPK2
SCHEMBL7814496 0.64 FGFR1 (0.41) PDPK1HSP90AB1FGFR1CHEK1FGFR2

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 PDPK1 676/4885HSP90AB1 2530/4885FGFR1 988/4885
US-20040034081-A9 ESTROGEN RECEPTOR MODULATORS ESR1, ESR2, GPER1 PDPK1 676/4885HSP90AB1 2530/4885FGFR1 988/4885
US-20020111374-A1 Estrogen receptor modulators ESR1, ESR2, GPER1 PDPK1 676/4885HSP90AB1 2530/4885FGFR1 988/4885

“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.