SCHEMBL164692

SCHEMBL164692

CCOC(=O)c1nc(Cl)c2scc(C)c2n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.40
RAB9A P51151 4/20 0.40
KMT2A Q03164 3/20 0.40
NPC1 O15118 3/20 0.40
ALDH1A1 P00352 2/20 0.40
MEN1 O00255 2/20 0.40
GAA P10253 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CASP1 P29466 1/20 0.38
CYP1A2 P05177 2/20 0.37
ADRA2A P08913 1/20 0.37
ADRA2B P18089 1/20 0.37
ADRA2C P18825 1/20 0.37
CYP2C19 P33261 1/20 0.37
ANO1 Q5XXA6 1/20 0.37
TSHR P16473 1/20 0.36
EGFR P00533 1/20 0.36
MAPK1 P28482 1/20 0.35
POLB P06746 1/20 0.35
PKM P14618 1/20 0.35

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
SCHEMBL165825 0.78 MAPT (0.40) MAPTRAB9AKMT2ANPC1ALDH1A1
SCHEMBL24261226 0.78 MAPT (0.40) MAPTRAB9AKMT2ANPC1ALDH1A1
SCHEMBL163775 0.76 KMT2A (0.42) MAPTRAB9AKMT2ANPC1ALDH1A1
SCHEMBL165394 0.72 KDM4E (0.47) MAPTKMT2AALDH1A1MEN1GAA
SCHEMBL165102 0.72 KMT2A (0.41) MAPTKMT2AALDH1A1MEN1GAA
SCHEMBL25391857 0.72 ADRA2A (0.43) MAPTRAB9AKMT2ANPC1ALDH1A1
SCHEMBL164030 0.72 KDM4E (0.50) MAPTRAB9AKMT2ANPC1MEN1
SCHEMBL10472779 0.71 KMT2A (0.51) MAPTRAB9AKMT2ANPC1ALDH1A1
SCHEMBL31372952 0.71 KMT2A (0.51) MAPTRAB9AKMT2ANPC1ALDH1A1
SCHEMBL166436 0.71 ALDH1A1 (0.50) MAPTRAB9AKMT2ANPC1ALDH1A1

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-20130317045-A1 THIENOPYRIDINE AND THIENOPYRIMIDINE COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION (US) 2013-11-28 US disclosed
EP-2611812-A1 THIENOPYRIDINE AND THIENOPYRIMIDINE COMPOUNDS AND METHODS OF USE THEREOF Ambit Biosciences Corporation (US) 2013-07-10 EP disclosed
WO-2012030894-A1 THIENOPYRIDINE AND THIENOPYRIMIDINE COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION (US) 2012-03-08 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 (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-20130317045-A1 THIENOPYRIDINE AND THIENOPYRIMIDINE COMPOUNDS AND METHODS OF USE THEREOF JAK2, JAK3, TYK2 MAPT 2618/4885RAB9A 3313/4885KMT2A 1220/4885

“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.