SCHEMBL2194124

SCHEMBL2194124

CC(=O)Nc1nc2ccc(Oc3cccc(NC(=O)C(F)(F)F)c3)cc2s1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 6/20 0.66
NPC1 O15118 3/20 0.58
RAB9A P51151 3/20 0.58
HTT P42858 2/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
CYP1A2 P05177 1/20 0.58
CYP3A4 P08684 1/20 0.58
CYP2C19 P33261 1/20 0.58
PDPK1 O15530 1/20 0.55
RIPK3 Q9Y572 3/20 0.53
RIPK1 Q13546 2/20 0.53
MAPT P10636 5/20 0.53
KDM4E B2RXH2 4/20 0.53
MEN1 O00255 4/20 0.53
KMT2A Q03164 4/20 0.53
ALDH1A1 P00352 3/20 0.53
GAA P10253 2/20 0.53
HPGD P15428 2/20 0.53
TDP1 Q9NUW8 2/20 0.53
AURKA O14965 1/20 0.51

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
SCHEMBL2196087 0.84 NPC1 (0.57) DYRK1ANPC1RAB9AHTTSMN1; SMN2
SCHEMBL11278674 0.82 NPC1 (0.74) DYRK1ANPC1RAB9AHTTSMN1; SMN2
SCHEMBL2193895 0.81 DYRK1A (0.66) DYRK1ANPC1RAB9AHTTSMN1; SMN2
SCHEMBL826668 0.80 BRAF (0.63) HTTRIPK3RIPK1MAPTKDM4E
SCHEMBL23104940 0.80 DYRK1A (1.00) DYRK1ANPC1RAB9AHTTSMN1; SMN2
SCHEMBL826153 0.80 BRAF (0.55) DYRK1AMAPTMEN1KMT2AKDR
SCHEMBL2194761 0.78 SCD (0.59) DYRK1ANPC1RAB9AHTTSMN1; SMN2
SCHEMBL2193160 0.78 KDR (0.59) DYRK1ANPC1RAB9AHTTSMN1; SMN2
SCHEMBL6193159 0.78 DYRK1A (0.77) DYRK1ANPC1RAB9AHTTSMN1; SMN2
SCHEMBL6191485 0.78 NPC1 (0.72) DYRK1ANPC1RAB9AHTTSMN1; 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2181987-B9 2-Carbonylaminobenzothiazoles and their use for the prophylaxis and treatment of cancer TAKEDA PHARMACEUTICAL (JP) 2014-09-03 EP disclosed
EP-2181987-B1 2-Carbonylaminobenzothiazoles and their use for the prophylaxis and treatment of cancer TAKEDA PHARMACEUTICAL (JP) 2014-03-05 EP disclosed
US-8324395-B2 Heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-12-04 US disclosed
US-20110172245-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-07-14 US disclosed
EP-2181987-A1 HETEROCYCLIC COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2010-05-05 EP 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-20110172245-A1 HETEROCYCLIC COMPOUND AND USE THEREOF BRAF, NRAS, RAF1 DYRK1A 2841/4885NPC1 3493/4885RAB9A 382/4885

“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.