SCHEMBL3084611

SCHEMBL3084611

Cc1nc(N)c(C(=O)O)c(S)n1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.34
KMT2A Q03164 2/20 0.34
GABRP O00591 1/20 0.32
GABRD O14764 1/20 0.32
GABRA1 P14867 1/20 0.32
GABRB1 P18505 1/20 0.32
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32
GABRA5 P31644 1/20 0.32
GABRA3 P34903 1/20 0.32
GABRA2 P47869 1/20 0.32
GABRB2 P47870 1/20 0.32
GABRA4 P48169 1/20 0.32
GABRE P78334 1/20 0.32
GABRA6 Q16445 1/20 0.32
GABRG1 Q8N1C3 1/20 0.32
GABRG3 Q99928 1/20 0.32
GABRQ Q9UN88 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPK1 P28482 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
SCHEMBL27563542 0.79 KDM4E (0.42) KDM4EKMT2AGABRPGABRDGABRA1
SCHEMBL27650618 0.78 ALDH1A1 (0.33) KDM4EKMT2AALDH1A1MAPK1SMN1; SMN2
SCHEMBL20874087 0.78 ALDH1A1 (0.33) ALDH1A1MAPK1SMN1; SMN2PDE10A
SCHEMBL3091475 0.77 KDM4E (0.50) KDM4EKMT2AALDH1A1MAPK1SMN1; SMN2
SCHEMBL11834010 0.76
SCHEMBL27565409 0.76 ALDH1A1 (0.48) KDM4EKMT2AALDH1A1MAPK1SMN1; SMN2
SCHEMBL5058609 0.76 GABRP (0.34) KDM4EGABRPGABRDGABRA1GABRB1
Hydrochloric Acid SCHEMBL10559934 0.74 ALDH1A1 (0.47) KDM4EKMT2AALDH1A1MAPK1SMN1; SMN2
SCHEMBL27584374 0.73 ALDH1A1 (0.35) ALDH1A1MAPK1SMN1; SMN2
SCHEMBL13826175 0.72 POLB (0.42) KDM4EKMT2AALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2251333-A1 Biphenyl derivatives as P-38 kinase inhibitors Novartis AG (CH) 2010-11-17 EP disclosed
EP-1990338-B1 Biphenylcyclopropylamides as p-38 Kinase inhibitors NOVARTIS AG (CH) 2010-09-22 EP disclosed
US-20100234404-A1 P-38 Kinase Inhibitors LANG HENGYUAN 2010-09-16 US disclosed
US-7754726-B2 Benzamide derivatives as p-38 kinase inhibitors NOVARTIS AG (CH) 2010-07-13 US disclosed
US-7700622-B2 p-38 kinase inhibitors NOVARTIS AG (CH) 2010-04-20 US disclosed
EP-1990338-A2 Biphenylcyclopropylamides as p-38 Kinase inhibitors Novartis AG (CH) 2008-11-12 EP disclosed
EP-1687284-B1 p-38 KINASE INHIBITORS NOVARTIS AG (CH) 2008-10-29 EP disclosed
US-20070111999-A1 P-38 kinase inhibitors TRIAD THERAPEUTICS, INC (US) 2007-05-17 US disclosed
EP-1687284-A2 p-38 KINASE INHIBITORS Novartis AG (CH) 2006-08-09 EP disclosed
WO-2005012241-A2 p-38 KINASE INHIBITORS NOVARTIS AG (CH) 2005-02-10 WO disclosed
US-20050020590-A1 P-38 kinase inhibitors NOVARTIS AG (CH) 2005-01-27 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-20070111999-A1 P-38 kinase inhibitors MAPK8, MAP3K8, MAPK1 KDM4E 4412/4885KMT2A 3583/4885GABRP 2713/4885
US-20050020590-A1 P-38 kinase inhibitors MAPK8, MAP3K8, MAPK1 KDM4E 4420/4885KMT2A 3537/4885GABRP 2638/4885
US-20100234404-A1 P-38 Kinase Inhibitors MAPK8, MAP3K8, MAPK1 KDM4E 4412/4885KMT2A 3583/4885GABRP 2713/4885

“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.