SCHEMBL2979430

SCHEMBL2979430

Cc1ccccc1C(=O)Nc1n[nH]c2sc(C(=O)NC(C)C)cc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.44
FLT3 P36888 1/20 0.42
ALDH1A1 P00352 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
ALPL P05186 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
AURKA O14965 1/20 0.40
MAPT P10636 1/20 0.39
POLB P06746 2/20 0.39
RAB9A P51151 2/20 0.39
NPC1 O15118 1/20 0.39
HPGD P15428 1/20 0.39
BDKRB1 P46663 1/20 0.38
TYK2 P29597 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
ADORA2A P29274 1/20 0.38
ADORA2B P29275 1/20 0.38
ADORA1 P30542 1/20 0.38

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
SCHEMBL2417540 0.88 BDKRB1 (0.51) TP53SMN1; SMN2KMT2AMAPTRAB9A
SCHEMBL2416163 0.88 TP53 (0.43) TP53FLT3ALDH1A1SMN1; SMN2MEN1
SCHEMBL2415616 0.88 L3MBTL1 (0.46) TP53ALDH1A1KMT2AMAPTRAB9A
SCHEMBL2417780 0.86 MEN1 (0.46) TP53ALDH1A1SMN1; SMN2ALPLMEN1
SCHEMBL2416444 0.86 HPGD (0.54) TP53ALDH1A1SMN1; SMN2KMT2AAURKA
SCHEMBL2414215 0.86 TP53 (0.49) TP53ALDH1A1AURKAHPGDADORA3
SCHEMBL2417516 0.85 CSNK2A2 (0.42) TP53ALDH1A1SMN1; SMN2ALPLAURKA
SCHEMBL2415997 0.85 SMN1; SMN2 (0.42) TP53ALDH1A1SMN1; SMN2ALPLMAPT
SCHEMBL2412972 0.84 SMN1; SMN2 (0.49) TP53FLT3SMN1; SMN2MEN1KMT2A
SCHEMBL3872653 0.83 ALDH1A1 (0.43) TP53ALDH1A1ALPLMEN1KMT2A

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
US-7541378-B2 Condensed heterocyclic pyrazole derivatives as kinase inhibitors PFIZER ITALIA S.R.L. (IT) 2009-06-02 US claimed
EP-1530573-B1 CONDENSED HETEROCYCLIC PYRAZOLE DERIVATIVES AS KINASE INHIBITORS PFIZER ITALIA SRL (IT) 2008-03-19 EP claimed
US-7786048-B2 Condensed heterocyclic pyrazole derivatives as kinase inhibitors PFIZER ITALIA S.R.L. (IT) 2010-08-31 US disclosed
US-20090233813-A1 Condensed Heterocyclic Pyrazole Derivatives as Kinase Inhibitors PFIZER ITALIA S.R.L. (IT) 2009-09-17 US disclosed
US-7541378-B2 Condensed heterocyclic pyrazole derivatives as kinase inhibitors PFIZER ITALIA S.R.L. (IT) 2009-06-02 US disclosed
EP-1943222-A1 ANTIBACTERIAL ACTIVE 5-CHINOLIN DERIVATIVE Morphochem Aktiengesellschaft Für Kombinatorische Chemie (DE) 2008-07-16 EP disclosed
EP-1530573-B1 CONDENSED HETEROCYCLIC PYRAZOLE DERIVATIVES AS KINASE INHIBITORS PFIZER ITALIA SRL (IT) 2008-03-19 EP disclosed
WO-2007042325-A1 ANTIBACTERIAL ACTIVE 5-CHINOLIN DERIVATIVE Morphochem Aktiengesellschaft für kombinatorische Chemie (DE) 2007-04-19 WO disclosed
US-20060122249-A1 Condensed heterocyclic pyrazole derivatives as kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2006-06-08 US disclosed
EP-1530573-A1 CONDENSED HETEROCYCLIC PYRAZOLE DERIVATIVES AS KINASE INHIBITORS Pharmacia Italia S.p.A. (IT) 2005-05-18 EP disclosed
WO-2004013146-A1 CONDENSED HETEROCYCLIC PYRAZOLE DERIVATIVES AS KINASE INHIBITORS PHARMACIA ITALIA S.P.A (IT) 2004-02-12 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-20060122249-A1 Condensed heterocyclic pyrazole derivatives as kinase inhibitors CDK2, MAP3K19, MAP3K15 TP53 282/4885FLT3 236/4885ALDH1A1 2743/4885

“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.