SCHEMBL1933289

SCHEMBL1933289

NC(=S)Nc1ccc(F)c(F)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.50
SMN1; SMN2 Q16637 2/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
ALDH1A1 P00352 4/20 0.48
MEN1 O00255 2/20 0.48
MAPT P10636 2/20 0.48
CYP1A2 P05177 1/20 0.48
HTT P42858 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
HPGD P15428 1/20 0.48
ALOX12 P18054 1/20 0.48
CYP2C19 P33261 1/20 0.48
TP53 P04637 1/20 0.48
TYR P14679 1/20 0.48
TSHR P16473 1/20 0.48
TAS2R38 P59533 1/20 0.48

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
SCHEMBL12157836 0.82 CYP1A2 (0.53) KMT2ASMN1; SMN2ALDH1A1MEN1MAPT
SCHEMBL360105 0.82 KMT2A (0.46) KMT2ASMN1; SMN2ALDH1A1MEN1MAPT
SCHEMBL3299680 0.82 KMT2A (0.73) KMT2ASMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL38654974 0.80 IDO1 (0.63) KMT2AALDH1A1MEN1MAPTHTT
SCHEMBL2579126 0.80 KIF11 (0.51) KMT2ASMN1; SMN2ALDH1A1MEN1MAPT
SCHEMBL4471234 0.79 RAB9A (0.49) KMT2ASMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL20560701 0.79 MEN1 (0.53) KMT2ASMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL4795850 0.79 ALDH1A1 (0.61) SMN1; SMN2NPC1RAB9AALDH1A1MAPT
SCHEMBL20696266 0.78 IDO1 (0.48) KMT2ASMN1; SMN2ALDH1A1CYP1A2CYP3A4
SCHEMBL31150253 0.78 KMT2A (0.51) KMT2ASMN1; SMN2NPC1RAB9AALDH1A1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3388425-B1 AMINOAZOLE DERIVATIVE TEIJIN PHARMA LTD (JP) 2020-08-05 EP disclosed
US-10689354-B2 Aminoazole derivative TEIJIN PHARMA LIMITED (JP) 2020-06-23 US disclosed
US-20190031628-A1 AMINOAZOLE DERIVATIVE TEIJIN PHARMA LIMITED (JP) 2019-01-31 US disclosed
WO-2017099237-A1 AMINOAZOLE DERIVATIVE 帝人ファーマ株式会社 2017-06-15 WO disclosed
US-9205077-B2 2-alkoxy-substituted dicyanopyridines and their use BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-12-08 US disclosed
US-20140296295-A1 2-ALKOXY-SUBSTITUTED DICYANOPYRIDINES AND THEIR USE BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-10-02 US disclosed
US-8791146-B2 2-alkoxy-substituted dicyanopyridines and their use BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-07-29 US disclosed
US-20110136871-A1 2-ALKOXY-SUBSTITUTED DICYANOPYRIDINES AND THEIR USE BAYER SCHERING AKTIENGESELLSCHAFT (DE) 2011-06-09 US 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 (4 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-10689354-B2 Aminoazole derivative AR, NR3C2, NR5A1 KMT2A 1490/4885SMN1; SMN2 3517/4885NPC1 3244/4885
US-20190031628-A1 AMINOAZOLE DERIVATIVE AR, NR3C2, NR5A1 KMT2A 1490/4885SMN1; SMN2 3517/4885NPC1 3244/4885
US-20110136871-A1 2-ALKOXY-SUBSTITUTED DICYANOPYRIDINES AND THEIR USE QDPR, TNNI3, TNNT2 KMT2A 2647/4885SMN1; SMN2 2061/4885NPC1 450/4885
US-20140296295-A1 2-ALKOXY-SUBSTITUTED DICYANOPYRIDINES AND THEIR USE QDPR, TNNI3, TNNT2 KMT2A 2647/4885SMN1; SMN2 2061/4885NPC1 450/4885

“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.