SCHEMBL5215949

SCHEMBL5215949

Oc1ccc(-c2nn(-c3ccccc3)c(-c3ccc(O)cc3)c2-c2ccc(O)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.52
ESR1 P03372 4/20 0.52
MAPT P10636 3/20 0.52
MAPK1 P28482 2/20 0.52
NPSR1 Q6W5P4 2/20 0.52
CYP1A2 P05177 2/20 0.52
CYP2C9 P11712 2/20 0.52
CYP2C19 P33261 2/20 0.52
KDM4E B2RXH2 2/20 0.52
BLM P54132 2/20 0.52
GMNN O75496 1/20 0.52
USP2 O75604 1/20 0.52
LMNA P02545 1/20 0.52
TP53 P04637 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52
ALOX15 P16050 1/20 0.52
TSHR P16473 1/20 0.52
ALOX12 P18054 1/20 0.52
NFKB1 P19838 1/20 0.52

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
SCHEMBL5215998 0.98 KMT2A (0.51) KMT2AESR1MAPTMAPK1NPSR1
SCHEMBL5214926 0.95 ESR1 (0.55) KMT2AESR1MAPTMAPK1NPSR1
SCHEMBL5213728 0.91 ESR1 (0.60) KMT2AESR1MAPTMAPK1NPSR1
SCHEMBL3861676 0.90 CA1 (0.50) KMT2ANPSR1CYP1A2CYP2C9CYP2C19
SCHEMBL5221501 0.88 KMT2A (0.49) KMT2AESR1MAPTMAPK1NPSR1
SCHEMBL5214655 0.88 SRC (0.50) KMT2AESR1MAPTMAPK1NPSR1
SCHEMBL5217342 0.88 ESR1 (0.49) KMT2AESR1MAPTMAPK1NPSR1
SCHEMBL5216990 0.88 KMT2A (0.52) KMT2AESR1MAPTMAPK1NPSR1
SCHEMBL20680132 0.88 CA1 (0.51) KMT2ACYP1A2CYP2C9CYP2C19MEN1
SCHEMBL5215559 0.85 NPSR1 (0.53) KMT2AESR1MAPTMAPK1NPSR1

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 KMT2A 2791/4885ESR1 1/4885MAPT 1269/4885
US-20040034081-A9 ESTROGEN RECEPTOR MODULATORS ESR1, ESR2, GPER1 KMT2A 2791/4885ESR1 1/4885MAPT 1269/4885
US-20020111374-A1 Estrogen receptor modulators ESR1, ESR2, GPER1 KMT2A 2791/4885ESR1 1/4885MAPT 1269/4885

“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.