SCHEMBL11965639

SCHEMBL11965639

Cc1ccc(-c2nnco2)cc1N

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 14/20 0.59
ALDH1A1 P00352 2/20 0.54
HPGD P15428 1/20 0.54
MAPK1 P28482 1/20 0.54
KDM4E B2RXH2 2/20 0.51
LMNA P02545 2/20 0.51
MAPT P10636 1/20 0.51
HTT P42858 1/20 0.51
TSHR P16473 1/20 0.50
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46

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
SCHEMBL11652205 0.85 NOTUM (0.53) NOTUMALDH1A1HPGDMAPK1KDM4E
SCHEMBL16258580 0.85 NOTUM (0.63) NOTUMALDH1A1HPGDMAPK1KDM4E
SCHEMBL4791133 0.81 NOTUM (0.58) NOTUMALDH1A1HPGDMAPK1KDM4E
SCHEMBL22556283 0.81 NOTUM (0.60) NOTUMALDH1A1HPGDMAPK1KDM4E
SCHEMBL8007634 0.81 NOTUM (0.60) NOTUMALDH1A1HPGDMAPK1KDM4E
SCHEMBL29232846 0.80 ALDH1A1 (0.74) NOTUMALDH1A1HPGDMAPK1KDM4E
SCHEMBL24623117 0.79 RAB9A (0.53) ALDH1A1HPGDKDM4EMAPTTSHR
SCHEMBL438958 0.78 NOTUM (0.46) NOTUMALDH1A1HPGDMAPK1KDM4E
SCHEMBL1459174 0.77 TSHR (0.62) NOTUMALDH1A1HPGDMAPK1KDM4E
SCHEMBL30221689 0.77 TSHR (0.62) NOTUMALDH1A1HPGDMAPK1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8580838-B2 5-membered heterocycle-based p38 kinase inhibitors NOVARTIS AG (CH) 2013-11-12 US disclosed
US-20130172352-A1 5-MEMBERED HETEROCYCLE-BASED P38 KINASE INHIBITORS NOVARTIS AG (CH) 2013-07-04 US disclosed
US-20130172352-A1 5-MEMBERED HETEROCYCLE-BASED P38 KINASE INHIBITORS NOVARTIS AG (CH) 2013-07-04 US disclosed
US-8410160-B2 5-membered heterocycle-based P38 kinase inhibitors NOVARTIS AG (CH) 2013-04-02 US disclosed
US-8410160-B2 5-membered heterocycle-based P38 kinase inhibitors NOVARTIS AG (CH) 2013-04-02 US disclosed
US-20120264801-A1 5-MEMBERED HETEROCYCLE-BASED P38 KINASE INHIBITORS NOVARTIS AG (CH) 2012-10-18 US disclosed
US-20120264801-A1 5-MEMBERED HETEROCYCLE-BASED P38 KINASE INHIBITORS NOVARTIS AG (CH) 2012-10-18 US disclosed
US-8242117-B2 5-membered heterocycle-based p38 kinase inhibitors NOVARTIS AG (CH) 2012-08-14 US disclosed
US-8242117-B2 5-membered heterocycle-based p38 kinase inhibitors NOVARTIS AG (CH) 2012-08-14 US disclosed
EP-1641764-B1 5-MEMBERED HETEROCYCLE-BASED P38 KINASE INHIBITORS NOVARTIS AG (CH) 2011-07-27 EP disclosed
US-20110071152-A1 5-MEMBERED HETEROCYCLE-BASED P38 KINASE INHIBITORS MEREO BIOPHARMA 1 LIMINTED (GB) 2011-03-24 US disclosed
US-20110071152-A1 5-MEMBERED HETEROCYCLE-BASED P38 KINASE INHIBITORS MEREO BIOPHARMA 1 LIMINTED (GB) 2011-03-24 US disclosed
EP-2298743-A1 5-membered heterocycle-based P38 kinase inhibitors Novartis AG (CH) 2011-03-23 EP disclosed
US-7863314-B2 5-membered heterocycle-based p38 kinase inhibitors NOVARTIS AG (CH) 2011-01-04 US disclosed
US-7863314-B2 5-membered heterocycle-based p38 kinase inhibitors NOVARTIS AG (CH) 2011-01-04 US 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 (3 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-20130172352-A1 5-MEMBERED HETEROCYCLE-BASED P38 KINASE INHIBITORS MAPK1, MAP3K1, MAP3K8 NOTUM 4401/4885ALDH1A1 2270/4885HPGD 546/4885
US-20120264801-A1 5-MEMBERED HETEROCYCLE-BASED P38 KINASE INHIBITORS MAPK1, MAP3K1, MAP3K8 NOTUM 4401/4885ALDH1A1 2270/4885HPGD 546/4885
US-20110071152-A1 5-MEMBERED HETEROCYCLE-BASED P38 KINASE INHIBITORS MAPK1, MAP3K1, MAP3K8 NOTUM 4359/4885ALDH1A1 2142/4885HPGD 559/4885

“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.