SCHEMBL14697441

SCHEMBL14697441

O=c1cc[nH]c2c1cnc1[nH]ccc12

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CCR8 P51685 1/20 0.52
KMT2A Q03164 1/20 0.50
PRKCI P41743 3/20 0.49
AXL P30530 2/20 0.49
ADORA2A P29274 1/20 0.44
ADORA1 P30542 1/20 0.44
JAK2 O60674 8/20 0.40
JAK1 P23458 7/20 0.40
JAK3 P52333 7/20 0.40
TYK2 P29597 3/20 0.40
KDM4E B2RXH2 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HSD17B10 Q99714 1/20 0.39
NUDT1 P36639 2/20 0.38
DYRK1A Q13627 1/20 0.37

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
SCHEMBL28061209 0.79 CCR8 (0.46) CCR8KMT2APRKCIAXLADORA2A
SCHEMBL17353634 0.78 PRKCI (0.42) PRKCIAXLJAK2JAK1JAK3
SCHEMBL29588095 0.78 PRKCI (0.42) PRKCIAXLJAK2JAK1JAK3
Hydrochloric Acid SCHEMBL29587391 0.77 PRKCI (0.41) PRKCIAXLJAK2JAK1JAK3
SCHEMBL4352565 0.76 NUDT1 (0.47) PRKCIAXLJAK2JAK1JAK3
SCHEMBL14697181 0.75 TYMP (0.49) PRKCIAXLJAK2JAK1JAK3
SCHEMBL10131568 0.74 AURKA (0.47) CCR8KMT2APRKCIAXLADORA2A
SCHEMBL669933 0.74 AXL (0.42) CCR8KMT2APRKCIAXLADORA2A
Hydrochloric Acid SCHEMBL14697453 0.74 TYMP (0.47) PRKCIAXLJAK2JAK1JAK3
SCHEMBL29381263 0.73 ADORA2A (0.44) CCR8KMT2APRKCIAXLADORA2A

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 7 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
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-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
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 CCR8 1388/4885KMT2A 1007/4885PRKCI 1000/4885

“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.