SCHEMBL14697169

SCHEMBL14697169

CS(=O)(=O)c1cnc2[nH]ccc2c1Nc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTBK1 Q5TCY1 3/20 0.47
TTBK2 Q6IQ55 3/20 0.47
EGFR P00533 3/20 0.43
AURKB Q96GD4 3/20 0.43
ALK Q9UM73 1/20 0.42
BUB1 O43683 1/20 0.41
INCENP Q9NQS7 1/20 0.39
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
JAK1 P23458 1/20 0.39
PTK2 Q05397 1/20 0.39
TNNI3K Q59H18 2/20 0.39
BRAF P15056 1/20 0.39
HTR1A P08908 1/20 0.38
HTR2A P28223 1/20 0.38
HTR7 P34969 1/20 0.38
HTR6 P50406 1/20 0.38
KDM1A O60341 1/20 0.38
IKBKB O14920 1/20 0.38

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
SCHEMBL1934806 0.76 TTBK1 (0.56) TTBK1TTBK2EGFRAURKBALK
SCHEMBL2105056 0.76 TTBK1 (0.53) TTBK1TTBK2EGFRAURKBALK
SCHEMBL1717446 0.76 TTBK1 (0.53) TTBK1TTBK2EGFRAURKBALK
SCHEMBL9989739 0.73 GSK3B (0.49) TTBK1TTBK2MAPTSMN1; SMN2JAK1
SCHEMBL14697170 0.73 JAK1 (0.55) JAK1JAK2JAK3
SCHEMBL28028675 0.68 IKBKB (0.52) AURKBALKPTK2TNNI3KIKBKB
SCHEMBL17113647 0.67 MET (0.49) EGFRAURKBJAK1HTR1AHTR2A
SCHEMBL16897037 0.67 MET (0.49) EGFRAURKBALKJAK1PTK2
SCHEMBL28032037 0.66 ALK (0.57) ALKTP53MAPTPTK2HTR6
SCHEMBL168084 0.64 TTBK1 (1.00) TTBK1TTBK2EGFRAURKBINCENP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9556187-B2 Substituted pyrrolo[3′,2′:5,6]pyrido[4,3-d]pyrimidines and JAK inhibitors comprising the same NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2017-01-31 US disclosed
EP-3112370-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS AND JAK INHIBITORS Nissan Chemical Industries, Ltd. (JP) 2017-01-04 EP disclosed
US-20160102102-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS AND JAK INHIBITORS NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2016-04-14 US disclosed
US-9216999-B2 Substituted pyrrolo[2,3-h][1,6]naphthyridines and compositions thereof as JAK inhibitors NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2015-12-22 US disclosed
EP-2742049-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS AND JAK INHIBITORS Nissan Chemical Industries, Ltd. (JP) 2014-06-18 EP disclosed
WO-2013024895-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS AND JAK INHIBITORS NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2013-02-21 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-20160102102-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS AND JAK INHIBITORS JAK2, JAK1, JAK3 TTBK1 140/4885TTBK2 73/4885EGFR 461/4885

“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.