SCHEMBL164804

SCHEMBL164804

O=C(c1ccc(F)cc1)c1nc(Cl)c2ccsc2n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.40
RAB9A P51151 1/20 0.40
ATM Q13315 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
CTDSP1 Q9GZU7 1/20 0.40
CSNK2A1 P68400 9/20 0.39
LTA4H P09960 1/20 0.39
HTR2C P28335 1/20 0.38
STAT3 P40763 1/20 0.38
GAA P10253 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
GGPS1 O95749 3/20 0.37
CSNK2A2 P19784 1/20 0.35
CSNK2B P67870 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
ADORA2A P29274 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 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
SCHEMBL164536 0.81 NPC1 (0.49) NPC1RAB9AATMNPSR1CTDSP1
SCHEMBL167507 0.79 ALDH1A1 (0.44) NPC1RAB9ALTA4HADORA3ADORA2A
SCHEMBL29720665 0.77 HTR2C (0.44) CSNK2A1HTR2CGAAGGPS1CSNK2A2
SCHEMBL166019 0.76 GRM5 (0.41) NPC1RAB9ANPSR1CTDSP1LTA4H
SCHEMBL164973 0.75 DHODH (0.41) NPC1LTA4HGAARXFP1KDM4E
SCHEMBL164944 0.75 AURKA (0.41) NPC1CSNK2A1LTA4HRXFP1CSNK2A2
SCHEMBL159829 0.75 KDM4E (0.53) NPSR1LTA4HGAAKDM4EMEN1
SCHEMBL160850 0.73 GRM2 (0.43) NPC1RAB9AATMNPSR1LTA4H
SCHEMBL162042 0.71 AURKA (0.38) NPC1CSNK2A1LTA4HRXFP1CSNK2A2
SCHEMBL174808 0.71 AURKA (0.60) ADORA3

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 NPC1 4484/4885RAB9A 3313/4885ATM 422/4885

“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.