SCHEMBL14697272

SCHEMBL14697272

c1cnc2ccc3c(c2c1)OCO3

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.52
KDM4E B2RXH2 2/20 0.52
CYP3A4 P08684 2/20 0.43
LMNA P02545 3/20 0.42
HIF1A Q16665 2/20 0.42
MEN1 O00255 1/20 0.42
HSP90AA1 P07900 1/20 0.42
HSP90AB1 P08238 1/20 0.42
HTT P42858 1/20 0.42
BLM P54132 1/20 0.42
KMT2A Q03164 1/20 0.42
BAD Q92934 1/20 0.41
ERN1 O75460 1/20 0.40
NCOA1 Q15788 1/20 0.39
CYP1A2 P05177 2/20 0.39
CYP1B1 Q16678 1/20 0.39
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
HTR2B P41595 1/20 0.38
HTR3E A5X5Y0 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
SCHEMBL4192166 0.86 MAPT (0.52) MAPTKDM4ECYP3A4LMNAHIF1A
SCHEMBL29539735 0.78 ALDH1A1 (0.41) MAPTKDM4ECYP3A4LMNAHIF1A
SCHEMBL29595770 0.75 BAD (0.48) MAPTKDM4ECYP3A4LMNAHIF1A
SCHEMBL1692303 0.75 BAD (0.48) MAPTKDM4ECYP3A4LMNAHIF1A
SCHEMBL30790437 0.74 CLK4 (0.40) MAPTKDM4ECYP3A4LMNAHIF1A
SCHEMBL11543472 0.73 MAPT (0.54) MAPTKDM4ECYP3A4LMNAHIF1A
SCHEMBL25687230 0.72 HSP90AA1 (0.52) MAPTKDM4ECYP3A4LMNAHIF1A
SCHEMBL4538637 0.71 LTA4H (0.40) MAPTKDM4ECYP3A4LMNAHIF1A
SCHEMBL5524400 0.71 MAPT (0.40) MAPTKDM4ECYP3A4LMNAHIF1A
SCHEMBL11083143 0.71 LMNA (0.52) MAPTKDM4ECYP3A4LMNAHIF1A

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 MAPT 3794/4885KDM4E 999/4885CYP3A4 1460/4885

“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.