SCHEMBL6030378

SCHEMBL6030378

CCN(C(=O)c1cccnc1)C(C)C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.58
ALDH1A1 P00352 6/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
KDM4E B2RXH2 2/20 0.51
HPGD P15428 2/20 0.51
LMNA P02545 2/20 0.49
NPSR1 Q6W5P4 4/20 0.48
TSHR P16473 2/20 0.48
TP53 P04637 2/20 0.48
MAPK1 P28482 2/20 0.48
USP2 O75604 1/20 0.48
ALOX15 P16050 1/20 0.48
HSD17B10 Q99714 1/20 0.48
MAPT P10636 1/20 0.48
GFER P55789 1/20 0.48
GAA P10253 3/20 0.47
APP P05067 1/20 0.47
HCAR3 P49019 1/20 0.47
HCAR2 Q8TDS4 1/20 0.47
F7 P08709 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
SCHEMBL10599249 0.91 HTT (0.58) HTTALDH1A1SMN1; SMN2KDM4EHPGD
SCHEMBL12339307 0.86 ALDH1A1 (0.50) HTTALDH1A1SMN1; SMN2KDM4EHPGD
SCHEMBL13340626 0.85 HTT (0.50) HTTALDH1A1SMN1; SMN2KDM4EHPGD
SCHEMBL14598691 0.85 ALDH1A1 (0.49) HTTALDH1A1SMN1; SMN2KDM4EHPGD
Nikethamide SCHEMBL29754232 0.80 HTT (0.65) HTTALDH1A1SMN1; SMN2KDM4EHPGD
Nikethamide SCHEMBL246456 0.80 HTT (0.65) HTTALDH1A1SMN1; SMN2KDM4EHPGD
SCHEMBL1591435 0.80 TP53 (0.56) HTTALDH1A1SMN1; SMN2KDM4ELMNA
SCHEMBL13061752 0.80 KDM4E (0.47) HTTALDH1A1SMN1; SMN2KDM4EHPGD
SCHEMBL1004615 0.80 NAMPT (0.55) ALDH1A1SMN1; SMN2HPGDLMNATP53
SCHEMBL14628695 0.80 HTT (0.50) HTTALDH1A1SMN1; SMN2KDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110071134-A1 2-(AMINO-SUBSTITUTED)-4-ARYL PYRIMIDINES AND RELATED COMPOUNDS USEFUL FOR TREATING INFLAMMATORY DISEASES MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-03-24 US disclosed
US-7732444-B2 2-(amino-substituted)-4-aryl pyrimidines and related compounds useful for treating inflammatory diseases MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-06-08 US disclosed
EP-1701944-B1 2-(AMINO-SUBSTITUTED)-4-ARYL PYRAMIDINES AND RELATED COMPOUNDS USEFUL FOR TREATING INFLAMMATORY DISEASES MILLENNIUM PHARM INC (US) 2009-07-29 EP disclosed
US-7125898-B2 Nicotinamide derivatives useful as p38 inhibitors. SMITHKLINE BEECHAM CORPORATION (US) 2006-10-24 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 (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-20110071134-A1 2-(AMINO-SUBSTITUTED)-4-ARYL PYRIMIDINES AND RELATED COMPOUNDS USEFUL FOR TREATING INFLAMMATORY DISEASES PRKCZ, PRKCQ, PRKCE HTT 4736/4885ALDH1A1 4044/4885SMN1; SMN2 3964/4885

“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.