SCHEMBL2489637

SCHEMBL2489637

COc1c(NC(=O)c2ccc(NCC(F)(F)F)cc2)cc(-c2ccn[nH]c2=O)cc1C(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIT P10721 1/20 0.38
SRC P12931 1/20 0.38
FLT3 P36888 1/20 0.38
ITK Q08881 1/20 0.38
ABL1 P00519 5/20 0.38
TP53 P04637 1/20 0.37
MAPT P10636 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NR1H4 Q96RI1 3/20 0.35
PTPN1 P18031 1/20 0.34
HDAC1 Q13547 1/20 0.34
NTRK1 P04629 1/20 0.34
TRPV1 Q8NER1 2/20 0.34
CYP3A4 P08684 2/20 0.34
MEN1 O00255 1/20 0.34
CYP2C19 P33261 1/20 0.34
KMT2A Q03164 1/20 0.34
PPARG P37231 1/20 0.34
PPARA Q07869 1/20 0.34
MAOB P27338 1/20 0.34

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
SCHEMBL1542446 0.86 CYP3A4 (0.48) KITSRCFLT3ITKABL1
SCHEMBL2491307 0.85 ITK (0.42) KITSRCFLT3ITKTP53
SCHEMBL2492957 0.85 ITK (0.41) KITSRCFLT3ITKMAPT
SCHEMBL10134543 0.84 ITK (0.41) KITSRCFLT3ITKTP53
SCHEMBL6766131 0.82 HTT (0.44) KITSRCFLT3ITKMAPT
SCHEMBL1542573 0.78 SCN5A (0.40) ABL1SMN1; SMN2HDAC1TRPV1CYP3A4
SCHEMBL1542911 0.76 CYP3A4 (0.49) KITSRCFLT3ITKABL1
SCHEMBL1542355 0.75 CYP3A4 (0.43) KITSRCFLT3ITKABL1
SCHEMBL2128418 0.72 CYP3A4 (0.49) KITSRCFLT3ITKABL1
SCHEMBL1542768 0.72 CYP3A4 (0.42) ABL1CYP3A4CYP2C19BTK

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-20100158860-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS STEINER SANDRA 2010-06-24 US claimed
US-8178547-B2 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC (US) 2012-05-15 US disclosed
US-8178547-B2 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC (US) 2012-05-15 US disclosed
EP-2379534-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS F. Hoffmann-La Roche AG (CH) 2011-10-26 EP disclosed
WO-2010072598-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2010-07-01 WO disclosed
US-20100158860-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS STEINER SANDRA 2010-06-24 US disclosed
US-20100158860-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS STEINER SANDRA 2010-06-24 US 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 (1 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-20100158860-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS RFC1, RRP1B, RRBP1 KIT 3856/4885SRC 3352/4885FLT3 3187/4885

“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.