SCHEMBL10249317

SCHEMBL10249317

CCn1c(-c2cccc(NC(=O)Nc3cccc(C(F)(F)F)c3)c2)c(N)c2cc(OC)ccc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 1/20 0.49
GSK3B P49841 1/20 0.49
KDR P35968 4/20 0.49
MAPK14 Q16539 2/20 0.49
TNNI3K Q59H18 2/20 0.49
BRAF P15056 1/20 0.49
MEN1 O00255 5/20 0.46
KMT2A Q03164 5/20 0.46
HTT P42858 3/20 0.46
LMNA P02545 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
POLB P06746 1/20 0.46
CDK8 P49336 3/20 0.45
CCNC P24863 1/20 0.45
PDGFRB P09619 1/20 0.44
IDH2 P48735 1/20 0.44
NTRK1 P04629 1/20 0.44
MAPT P10636 4/20 0.44
NPC1 O15118 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44

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
SCHEMBL10095686 0.87 GSK3A (0.47) GSK3AGSK3BKDRMAPK14TNNI3K
SCHEMBL13152069 0.85 ITGB3 (0.47) MEN1KMT2AHTTLMNASMN1; SMN2
SCHEMBL10097283 0.84 TSHR (0.47) KDRBRAFMEN1KMT2AHTT
SCHEMBL13152115 0.83 GRIK2 (0.46) MEN1KMT2AHTTLMNASMN1; SMN2
SCHEMBL13152063 0.83 MTNR1B (0.51) MEN1KMT2AHTTLMNASMN1; SMN2
SCHEMBL13152096 0.81 KMT2A (0.46) MEN1KMT2AHTTLMNASMN1; SMN2
SCHEMBL13152066 0.81 GRIK2 (0.45) MEN1KMT2AHTTLMNASMN1; SMN2
SCHEMBL10097617 0.79 TP53 (0.47) KDRMEN1KMT2AHTTLMNA
SCHEMBL10252373 0.79 MTNR1B (0.48) KDRMEN1KMT2AHTTLMNA
SCHEMBL13152067 0.78 GRIK2 (0.42) MEN1KMT2AHTTLMNASMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120009142-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2012-01-12 US disclosed
WO-2010118009-A1 HCV INHIBITOR AND THERAPEUTIC AGENT COMBINATIONS PTC THERAPEUTICS, INC. (US) 2010-10-14 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 (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-20120009142-A1 METHODS FOR TREATING HEPATITIS C OAT, HAVCR2, HCCS GSK3A 1223/4885GSK3B 1270/4885KDR 4817/4885

“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.