SCHEMBL604307

SCHEMBL604307

Cc1cc(Nc2nc(C=Cc3ccccc3)nc(C(=O)NCCN3CCOCC3)c2N)[nH]n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 1/20 0.44
KDM4E B2RXH2 5/20 0.42
ALDH1A1 P00352 4/20 0.42
GAA P10253 3/20 0.42
HPGD P15428 3/20 0.42
HSD17B10 Q99714 2/20 0.42
GLA P06280 2/20 0.42
USP2 O75604 1/20 0.42
CASP1 P29466 1/20 0.42
CASP7 P55210 1/20 0.42
WNT1 P04628 2/20 0.42
DYRK1A Q13627 2/20 0.42
KMT2A Q03164 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MEN1 O00255 1/20 0.42
HPGDS O60760 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
MAPT P10636 2/20 0.41
KDM5B Q9UGL1 1/20 0.41
ATM Q13315 1/20 0.41

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
SCHEMBL604306 1.00 TGFBR1 (0.44) TGFBR1KDM4EALDH1A1GAAHPGD
SCHEMBL10122958 0.88 AURKA (0.47) TGFBR1KDM4EALDH1A1GAAHPGD
SCHEMBL14546316 0.79 ADORA3 (0.42) KDM4EALDH1A1HPGDKMT2ASMN1; SMN2
SCHEMBL597337 0.78 CTSK (0.44) KDM4EALDH1A1SMN1; SMN2L3MBTL1ATM
SCHEMBL597336 0.78 CTSK (0.44) KDM4EALDH1A1SMN1; SMN2L3MBTL1ATM
SCHEMBL595874 0.77 ADORA3 (0.39) KDM4EALDH1A1GAAHPGDHSD17B10
SCHEMBL595875 0.77 ADORA3 (0.39) KDM4EALDH1A1GAAHPGDHSD17B10
SCHEMBL10122960 0.76 AURKA (0.54) TGFBR1KDM4EALDH1A1HSD17B10KMT2A
SCHEMBL597846 0.76 AURKA (0.41) ALDH1A1DYRK1AKMT2AMEN1
SCHEMBL597845 0.76 AURKA (0.41) ALDH1A1DYRK1AKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1928456-B1 SUBSTITUTED PYRAZOLE COMPOUNDS MIIKANA THERAPEUTICS INC (US) 2015-04-22 EP disclosed
US-8114870-B2 Method of treating disease states using substituted pyrazole compounds MIIKANA THERAPEUTICS, INC. (US) 2012-02-14 US disclosed
US-20090264422-A1 METHOD OF TREATING DISEASE STATES USING SUBSTITUTED PYRAZOLE COMPOUNDS MIIKANA THERAPEUTICS, INC. 2009-10-22 US disclosed
US-7563787-B2 Substituted pyrazole compounds MIIKANA THERAPEUTICS, INC. (US) 2009-07-21 US disclosed
US-20070142368-A1 Substituted pyrazole compounds MIIKANA THERAPEUTICS, INC. 2007-06-21 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 (2 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-20070142368-A1 Substituted pyrazole compounds AURKC, AURKA, AURKB TGFBR1 4268/4885KDM4E 2120/4885ALDH1A1 3400/4885
US-20090264422-A1 METHOD OF TREATING DISEASE STATES USING SUBSTITUTED PYRAZOLE COMPOUNDS AURKC, AURKA, AURKB TGFBR1 4462/4885KDM4E 2305/4885ALDH1A1 2876/4885

“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.