SCHEMBL1298740

SCHEMBL1298740

CCOC(=O)c1c(C)nc(SC)nc1Nc1cccc(C(F)(F)F)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.56
MAPK1 P28482 2/20 0.53
HTT P42858 1/20 0.53
SYK P43405 4/20 0.51
CACNA1B Q00975 1/20 0.51
APBA1 Q02410 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
KDM4E B2RXH2 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ALDH1A1 P00352 3/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
MAPT P10636 2/20 0.42
HPGD P15428 1/20 0.42
LMNA P02545 3/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
POLB P06746 1/20 0.42
GMNN O75496 1/20 0.42

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
SCHEMBL1298125 0.90 MAPK1 (0.45) TP53MAPK1HTTSYKCACNA1B
SCHEMBL12103792 0.87 MAPK1 (0.43) TP53MAPK1HTTSYKCACNA1B
SCHEMBL27875876 0.86 LMNA (0.51) TP53SYKALDH1A1MEN1KMT2A
SCHEMBL1939342 0.86 SYK (0.55) TP53MAPK1HTTSYKKDM4E
SCHEMBL12103452 0.85 TP53 (0.51) TP53MAPK1HTTSYKCACNA1B
SCHEMBL19245971 0.82 MAPK1 (0.44) MAPK1HTTSYKKDM4ESMN1; SMN2
SCHEMBL19245828 0.77 ALOX5 (0.51) MAPK1HTTSYKNPC1RAB9A
SCHEMBL15264778 0.77 MAPK1 (0.55) TP53MAPK1HTTSYKNPSR1
SCHEMBL1298459 0.77 MAPT (0.44) TP53MAPK1HTTSYKKDM4E
SCHEMBL1939999 0.77 SYK (0.44) MAPK1HTTSYKNPSR1KDM4E

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-8404677-B2 Kinase inhibitors GENOSCO (US) 2013-03-26 US disclosed
US-8404677-B2 Kinase inhibitors GENOSCO (US) 2013-03-26 US disclosed
US-8404677-B2 Kinase inhibitors GENOSCO (US) 2013-03-26 US disclosed
EP-2493313-A1 KINASE INHIBITORS Genosco (US) 2012-09-05 EP disclosed
US-20110269739-A1 KINASE INHIBITORS OSCOTEC, INC. (KR) 2011-11-03 US disclosed
US-20110269739-A1 KINASE INHIBITORS OSCOTEC, INC. (KR) 2011-11-03 US disclosed
US-20110269739-A1 KINASE INHIBITORS OSCOTEC, INC. (KR) 2011-11-03 US disclosed
WO-2011053861-A1 KINASE INHIBITORS GENOSCO (US) 2011-05-05 WO disclosed
WO-2011053861-A1 KINASE INHIBITORS GENOSCO (US) 2011-05-05 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-20110269739-A1 KINASE INHIBITORS JAK1, LCK, MAP3K20 TP53 679/4885MAPK1 28/4885HTT 1465/4885

“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.