SCHEMBL14909586

SCHEMBL14909586

Brc1cncc(-n2nccn2)c1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 7/20 0.44
CHRNA4 P43681 7/20 0.44
CHRNB4 P30926 5/20 0.40
CHRNA3 P32297 5/20 0.40
POLB P06746 1/20 0.36
HCAR2 Q8TDS4 1/20 0.36
HCRTR1 O43613 1/20 0.33
HCRTR2 O43614 1/20 0.33
CYP2A6 P11509 2/20 0.32
KDM4E B2RXH2 1/20 0.32
HTT P42858 2/20 0.32
ROCK2 O75116 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
ALOX12 P18054 1/20 0.32
ROCK1 Q13464 1/20 0.32
PTK2 Q05397 1/20 0.32
ALOX15 P16050 1/20 0.32

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
SCHEMBL5026594 0.74 KDM4E (0.36) KDM4EALDH1A1
SCHEMBL20153304 0.74 CHRNB2 (0.40) CHRNB2CHRNA4CHRNB4CHRNA3HCAR2
SCHEMBL30782426 0.74 CYP11B2 (0.46) CHRNB4CHRNA3HCAR2
SCHEMBL29464651 0.74 CHRNB2 (0.42) CHRNB2CHRNA4POLBKDM4EGAA
SCHEMBL29933843 0.74 KDM4E (0.34) KDM4EALDH1A1
SCHEMBL30811699 0.72 KDM4E (0.48) CHRNB2CHRNA4CHRNB4CHRNA3KDM4E
SCHEMBL10153195 0.72 KDM4E (0.48) CHRNB2CHRNA4CHRNB4CHRNA3KDM4E
SCHEMBL1502674 0.70 CHRNB2 (0.44) CHRNB2CHRNA4CHRNB4CHRNA3POLB
SCHEMBL30811828 0.70 CHRNB2 (0.44) CHRNB2CHRNA4CHRNB4CHRNA3POLB
SCHEMBL14812187 0.70 MGLL (0.47) POLBALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023104209-A1 METTL3 INHIBITOR COMPOUND 上海昂阔医药有限公司 2023-06-15 WO disclosed
WO-2022129913-A1 ALKYNE DERIVATIVES AS INHIBITORS OF C-ABL BENEVOLENTAI BIO LIMITED (GB) 2022-06-23 WO disclosed
EP-2589592-B1 NOVEL NICOTINAMIDE DERIVATIVES OR SALTS THEREOF FUJIFILM CORP (JP) 2018-08-22 EP disclosed
US-8895585-B2 Nicotinamide derivative or salt thereof FUJIFILM CORPORATION (JP) 2014-11-25 US disclosed
US-8895585-B2 Nicotinamide derivative or salt thereof FUJIFILM CORPORATION (JP) 2014-11-25 US disclosed
US-8895585-B2 Nicotinamide derivative or salt thereof FUJIFILM CORPORATION (JP) 2014-11-25 US disclosed
US-8809371-B2 2014-08-19 US disclosed
US-8809371-B2 2014-08-19 US disclosed
US-8809371-B2 2014-08-19 US disclosed
US-8772320-B2 2014-07-08 US disclosed
US-8772320-B2 2014-07-08 US disclosed
US-20130116430-A1 NOVEL NICOTINAMIDE DERIVATIVE OR SALT THEREOF FUJIFILM CORPORATION (JP) 2013-05-09 US disclosed
US-20130116430-A1 NOVEL NICOTINAMIDE DERIVATIVE OR SALT THEREOF FUJIFILM CORPORATION (JP) 2013-05-09 US disclosed
US-20130116430-A1 NOVEL NICOTINAMIDE DERIVATIVE OR SALT THEREOF FUJIFILM CORPORATION (JP) 2013-05-09 US disclosed
EP-2589592-A1 NOVEL NICOTINAMIDE DERIVATIVES OR SALTS THEREOF FUJIFILM Corporation (JP) 2013-05-08 EP disclosed
CN-102958918-A Novel nicotinamide derivatives or salts thereof FUJIFILM CORP 2013-03-06 CN 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-20130116430-A1 NOVEL NICOTINAMIDE DERIVATIVE OR SALT THEREOF SYK, CD38, BTK CHRNB2 1449/4885CHRNA4 1184/4885CHRNB4 1620/4885

“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.