SCHEMBL14697377

SCHEMBL14697377

O=C(c1ncnc2[nH]ccc12)C1CN(C(=O)OCc2ccccc2)C1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 12/20 0.58
JAK1 P23458 11/20 0.58
JAK3 P52333 9/20 0.56
TYK2 P29597 8/20 0.52
SMN1; SMN2 Q16637 3/20 0.45
CYP2C19 P33261 1/20 0.45
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
GRIN2B Q13224 1/20 0.41
EGFR P00533 1/20 0.41
TTBK1 Q5TCY1 1/20 0.41
TTBK2 Q6IQ55 1/20 0.41
AURKB Q96GD4 1/20 0.41

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
SCHEMBL14697511 0.92 JAK2 (0.58) JAK2JAK1JAK3TYK2SMN1; SMN2
SCHEMBL14697617 0.91 JAK2 (0.61) JAK2JAK1JAK3TYK2SMN1; SMN2
SCHEMBL14697454 0.90 JAK2 (0.60) JAK2JAK1JAK3TYK2SMN1; SMN2
SCHEMBL14708027 0.80 JAK2 (0.58) JAK2JAK1JAK3TYK2
SCHEMBL20713904 0.79 TTBK1 (0.50) JAK2JAK1JAK3TYK2EGFR
SCHEMBL3493987 0.75 EGFR (0.46) JAK2JAK1TYK2EGFRTTBK1
SCHEMBL14697186 0.75 JAK3 (0.60) JAK2JAK1JAK3TYK2NPC1
SCHEMBL5359231 0.75 GRIN2B (0.63) JAK2JAK1JAK3TYK2GRIN2B
SCHEMBL14697233 0.75 JAK2 (0.58) JAK2JAK1JAK3TYK2SMN1; SMN2
SCHEMBL1048798 0.74 JAK1 (0.53) JAK2JAK1JAK3TYK2

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 19 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
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
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
EP-3112370-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS AND JAK INHIBITORS Nissan Chemical Industries, Ltd. (JP) 2017-01-04 EP disclosed
CN-103732597-B Tricyclic heterocyclic compounds and JAK inhibitors 日产化学工业株式会社 2016-08-17 CN disclosed
US-20160102102-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS AND JAK INHIBITORS NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2016-04-14 US disclosed
US-20160102102-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS AND JAK INHIBITORS NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2016-04-14 US 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
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
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
CN-105001226-A Tricycle heterocyclic compounds and JAK inhibitors NISSAN CHEMICAL IND LTD 2015-10-28 CN disclosed
US-20140200344-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS AND JAK INHIBITORS NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2014-07-17 US disclosed
US-20140200344-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS AND JAK INHIBITORS NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2014-07-17 US disclosed
EP-2742049-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS AND JAK INHIBITORS Nissan Chemical Industries, Ltd. (JP) 2014-06-18 EP disclosed
CN-103732597-A Tricyclic heterocyclic compounds and JAK inhibitors NISSAN CHEMICAL IND LTD 2014-04-16 CN disclosed
WO-2013024895-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS AND JAK INHIBITORS NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2013-02-21 WO 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 (2 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 JAK2 1/4885JAK1 2/4885JAK3 3/4885
US-20140200344-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS AND JAK INHIBITORS JAK2, JAK1, JAK3 JAK2 1/4885JAK1 2/4885JAK3 3/4885

“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.