SCHEMBL10097654

SCHEMBL10097654

CCOC(=O)Nc1ccc(-c2c(N)c3ccc(N4CCN(C)CC4)cc3n2CC)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 4/20 0.42
LCK P06239 3/20 0.42
HCK P08631 2/20 0.42
SRC P12931 2/20 0.42
ABL1 P00519 1/20 0.42
RET P07949 1/20 0.42
KIT P10721 1/20 0.42
PDGFRA P16234 1/20 0.42
TEK Q02763 1/20 0.42
GAA P10253 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
AURKA O14965 1/20 0.41
SMN1; SMN2 Q16637 4/20 0.40
TP53 P04637 2/20 0.40
HPGD P15428 2/20 0.40
FLT3 P36888 2/20 0.40
FLT1 P17948 1/20 0.40
MAPT P10636 4/20 0.40

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
SCHEMBL13051737 0.88 AURKA (0.47) KMT2AMEN1AURKASMN1; SMN2MAPT
SCHEMBL10096607 0.87 GAA (0.40) KDRLCKHCKSRCABL1
SCHEMBL13051738 0.85 ABL1 (0.44) KDRLCKHCKSRCABL1
SCHEMBL10252550 0.83 HRH2 (0.42) AURKA
SCHEMBL10251064 0.81 MTNR1B (0.48) KDRKMT2AMEN1TP53HPGD
SCHEMBL13151789 0.81 ALDH1A1 (0.47) GAAKMT2AMEN1SMN1; SMN2TP53
SCHEMBL10252492 0.79 KCNQ2 (0.41) LCKSRCRETKITGAA
SCHEMBL13152369 0.79 RAB9A (0.47) GAANPSR1KMT2AMEN1SMN1; SMN2
SCHEMBL13151929 0.79 KCNQ2 (0.43) NPSR1KMT2AMEN1SMN1; SMN2TP53
SCHEMBL13152745 0.79 HPGD (0.41) KDRNPSR1KMT2AMEN1SMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120027721-A1 HCV Inhibitor and Therapeutic Agent Combinations PTC THERAPEUTICS, INC. (US) 2012-02-02 US disclosed
WO-2010118009-A1 HCV INHIBITOR AND THERAPEUTIC AGENT COMBINATIONS PTC THERAPEUTICS, INC. (US) 2010-10-14 WO disclosed
WO-2007084413-A2 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2007-07-26 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-20120027721-A1 HCV Inhibitor and Therapeutic Agent Combinations HAVCR2, SERPINB1, ENPEP KDR 4728/4885LCK 1910/4885HCK 4389/4885

“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.