SCHEMBL5515293

SCHEMBL5515293

COc1cc2nc(OC(C)C)cc(C(F)(F)F)c2cc1NC(C)C

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SOS1 Q07889 8/20 0.37
KRAS P01116 3/20 0.37
EHMT2 Q96KQ7 2/20 0.36
EGFR P00533 2/20 0.36
PDE3B Q13370 1/20 0.34
PDE3A Q14432 1/20 0.34
PDE4A P27815 1/20 0.34
PDE4D Q08499 1/20 0.34
ERBB2 P04626 1/20 0.33
ERBB3 P21860 1/20 0.33
ERBB4 Q15303 1/20 0.33
LRRK2 Q5S007 2/20 0.33
PDE10A Q9Y233 1/20 0.33
LMNA P02545 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL5514606 0.90 SOS1 (0.37) SOS1KRASEHMT2EGFRPDE3B
SCHEMBL5527087 0.84 NR4A2 (0.32)
SCHEMBL5523178 0.81 SOS1 (0.36) SOS1KRASPDE3BPDE3APDE4A
SCHEMBL5531865 0.81 EHMT2 (0.36) SOS1KRASEHMT2PDE4APDE4D
SCHEMBL5517188 0.74 MAPT (0.30)
SCHEMBL5519140 0.72 AR (0.34) SMN1; SMN2
SCHEMBL5518776 0.70 AR (0.34)
SCHEMBL5514501 0.70 MAPT (0.33)
SCHEMBL7257613 0.70 BACE1 (0.54) LMNASMN1; SMN2
SCHEMBL1771768 0.69 BACE1 (0.40) SOS1KRASSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070167445-A1 Androgen receptor modulator compounds and methods LIGAND PHARMACEUTICALS, INC. 2007-07-19 US disclosed
EP-1212330-B1 ANDROGEN RECEPTOR MODULATOR COMPOUNDS AND METHODS LIGAND PHARM INC (US) 2006-04-19 EP disclosed
US-20030186970-A1 Androgen receptor modulator compounds and methods LIGAND PHARMACEUTICALS, INC, 2003-10-02 US disclosed
US-6462038-B1 SUCH AS 1,2,3,6-TETRAHYDRO-1-METHYL-9-(TRIFLUOROMETHYL)-7H-(1,4)OXAZINO(3,2 -G)QUINOLIN-7-ONE; NONSTEROIDAL, HIGH AFFINITY AND SPECIFICITY ANTAGONISTS AND AGONISTS OR PARTIAL AGONISTS, I.E. PARTIAL AND/OR TISSUE SPECIFIC ACTIVATORS LIGAND PHARMACEUTICALS, INC. 2002-10-08 US disclosed
WO-2001016139-A9 ANDROGEN RECEPTOR MODULATOR COMPOUNDS AND METHODS LIGAND PHARM INC (US) 2002-09-19 WO disclosed
EP-1212330-A1 ANDROGEN RECEPTOR MODULATOR COMPOUNDS AND METHODS LIGAND PHARMACEUTICALS INCORPORATED (US) 2002-06-12 EP disclosed
WO-2001016139-A1 ANDROGEN RECEPTOR MODULATOR COMPOUNDS AND METHODS LIGAND PHARMACEUTICALS INCORPORATED (US) 2001-03-08 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 (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-20030186970-A1 Androgen receptor modulator compounds and methods AR, NR5A1, FSHR SOS1 2223/4885KRAS 3976/4885EHMT2 3214/4885
US-20070167445-A1 Androgen receptor modulator compounds and methods AR, NR5A1, FSHR SOS1 2223/4885KRAS 3976/4885EHMT2 3214/4885

“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.