SCHEMBL164030

SCHEMBL164030

Cc1csc2c(Cl)nc(C(=O)c3ccc(F)cc3)nc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.50
NPSR1 Q6W5P4 4/20 0.50
RXFP1 Q9HBX9 5/20 0.43
NPC1 O15118 7/20 0.37
RAB9A P51151 6/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
GRM5 P41594 1/20 0.36
LTA4H P09960 1/20 0.36
KMT2A Q03164 4/20 0.34
MEN1 O00255 3/20 0.34
HTT P42858 1/20 0.34
MAPK1 P28482 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
ATM Q13315 1/20 0.34
CTDSP1 Q9GZU7 1/20 0.34
PRKCI P41743 3/20 0.34
MAPT P10636 1/20 0.33
BLM P54132 1/20 0.33
DUSP3 P51452 1/20 0.33
GAA P10253 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
SCHEMBL166019 0.80 GRM5 (0.41) KDM4ENPSR1NPC1RAB9ASMN1; SMN2
SCHEMBL164536 0.77 NPC1 (0.49) KDM4ENPSR1RXFP1NPC1RAB9A
SCHEMBL174137 0.76 KDM4E (0.45) KDM4ENPSR1RXFP1NPC1RAB9A
SCHEMBL164868 0.74 MEN1 (0.40) KDM4ENPSR1RXFP1NPC1RAB9A
SCHEMBL164804 0.70 NPC1 (0.40) KDM4ENPSR1RXFP1NPC1RAB9A
SCHEMBL160850 0.69 GRM2 (0.43) KDM4ENPSR1RXFP1NPC1RAB9A
SCHEMBL167507 0.69 ALDH1A1 (0.44) KDM4ENPC1RAB9ASMN1; SMN2GRM5
SCHEMBL164202 0.69 NPC1 (0.35) KDM4ENPSR1RXFP1NPC1RAB9A
SCHEMBL5579149 0.67 PDPK1 (0.37) KDM4ENPSR1RXFP1NPC1SMN1; SMN2
SCHEMBL358761 0.67 PDPK1 (0.37) KDM4ENPSR1RXFP1NPC1SMN1; 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-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 KDM4E 1605/4885NPSR1 4552/4885RXFP1 4430/4885

“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.