SCHEMBL166424

SCHEMBL166424

Cc1cc2c(=O)[nH]c(C(F)(F)c3ccc(F)cc3)nc2s1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
FLT3 P36888 1/20 0.38
KDM4E B2RXH2 2/20 0.37
NPC1 O15118 1/20 0.37
MAPT P10636 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TNKS O95271 6/20 0.37
TNKS2 Q9H2K2 6/20 0.37
PARP1 P09874 5/20 0.37
SPR P35270 1/20 0.37
HTR1A P08908 1/20 0.35
HTR7 P34969 1/20 0.35
PARP2 Q9UGN5 2/20 0.34
PGR P06401 1/20 0.34
AR P10275 1/20 0.34
PARP3 Q9Y6F1 1/20 0.33
PKM P14618 1/20 0.33
PIM1 P11309 1/20 0.33
PIM2 Q9P1W9 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
SCHEMBL20668045 0.81 PKM (0.46) ALDH1A1KDM4ENPC1MAPTRAB9A
SCHEMBL20668049 0.79 SPR (0.40) ALDH1A1KDM4ENPC1MAPTRAB9A
SCHEMBL18701573 0.77 KDM4E (0.41) ALDH1A1KDM4ENPC1MAPTRAB9A
SCHEMBL20659873 0.74 SMN1; SMN2 (0.56) ALDH1A1FLT3MAPTSMN1; SMN2HTR1A
SCHEMBL165352 0.72 ALDH1A1 (0.42) ALDH1A1FLT3
SCHEMBL164877 0.71 PDPK1 (0.44) RAB9ATNKSTNKS2PARP1PKM
SCHEMBL5435622 0.70 KDM4E (0.60) ALDH1A1KDM4ENPC1MAPTRAB9A
SCHEMBL29990964 0.68 KDM4E (0.43) ALDH1A1KDM4ENPC1MAPTRAB9A
SCHEMBL166340 0.66 NTRK1 (0.45)
SCHEMBL174795 0.66 FLT3 (0.36) ALDH1A1FLT3NPC1RAB9A

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 ALDH1A1 2385/4885FLT3 51/4885KDM4E 1605/4885

“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.