SCHEMBL166676

SCHEMBL166676

O=C(c1ccc(F)cc1)c1nc(O)c2cscc2n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.40
KDM4E B2RXH2 4/20 0.38
HTT P42858 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
CES2 O00748 1/20 0.35
CES1 P23141 1/20 0.35
BCL2L1 Q07817 1/20 0.35
BAD Q92934 1/20 0.35
NPC1 O15118 6/20 0.35
RXFP1 Q9HBX9 1/20 0.35
RAB9A P51151 4/20 0.34
ESR1 P03372 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
LMNA P02545 2/20 0.34
PDE10A Q9Y233 1/20 0.34
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CSNK2A1 P68400 1/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL163400 0.82 PDE10A (0.41) LTA4HKDM4EHTTMEN1KMT2A
SCHEMBL164593 0.76 GRM2 (0.47) KDM4EHTTMEN1KMT2ARXFP1
SCHEMBL162796 0.74 ESR1 (0.45) KDM4EESR1CSNK2A1TDP1MAPK1
SCHEMBL175237 0.73 AURKA (0.64)
SCHEMBL15255137 0.72 KDM4E (0.40) LTA4HKDM4EHTTMEN1KMT2A
SCHEMBL164944 0.68 AURKA (0.41) LTA4HKDM4EHTTMEN1KMT2A
SCHEMBL17716230 0.68 KMT2A (0.64) KDM4EHTTMEN1KMT2ANPC1
SCHEMBL164536 0.68 NPC1 (0.49) LTA4HKDM4EMEN1KMT2ANPC1
SCHEMBL164973 0.68 DHODH (0.41) LTA4HKDM4EHTTMEN1KMT2A
SCHEMBL159829 0.68 KDM4E (0.53) LTA4HKDM4EHTTMEN1KMT2A

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 LTA4H 1411/4885KDM4E 1605/4885HTT 1738/4885

“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.