SCHEMBL10123014

SCHEMBL10123014

COc1cc(/C=C/c2nc(Nc3cc(C)[nH]n3)cc(C(=O)NCCN3CCOCC3)n2)cc(OC)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 5/20 0.49
ALDH1A1 P00352 4/20 0.47
KDM4E B2RXH2 4/20 0.47
TP53 P04637 1/20 0.47
POLB P06746 1/20 0.47
ALOX15 P16050 1/20 0.47
MAPT P10636 1/20 0.45
FGFR1 P11362 3/20 0.43
KDR P35968 3/20 0.43
FGFR3 P22607 2/20 0.43
FGFR2 P21802 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
IGF1R P08069 1/20 0.42
LMNA P02545 1/20 0.42
AURKB Q96GD4 3/20 0.41
HPGD P15428 1/20 0.41
PLK4 O00444 2/20 0.41
ABL1 P00519 2/20 0.41
NTRK1 P04629 2/20 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
SCHEMBL10122991 0.88 AURKA (0.49) AURKAALDH1A1KDM4EPOLBFGFR1
SCHEMBL10122960 0.88 AURKA (0.54) AURKAALDH1A1KDM4EFGFR1KDR
SCHEMBL10123002 0.87 AURKA (0.48) AURKAALDH1A1FGFR1KDRFGFR3
SCHEMBL10123015 0.86 AURKA (0.48) AURKAPOLBFGFR1KDRFGFR3
SCHEMBL10123026 0.83 AURKA (0.47) AURKAALDH1A1FGFR1KDRFGFR3
SCHEMBL10122962 0.81 AURKA (0.49) AURKAFGFR1KDRFGFR3FGFR2
SCHEMBL10123046 0.79 ALDH1A1 (0.49) ALDH1A1KDM4EPOLBMAPTCYP2C9
SCHEMBL10123008 0.79 AURKA (0.53) AURKAFGFR1KDRFGFR3IGF1R
SCHEMBL14546516 0.75 ALDH1A1 (0.49) ALDH1A1KDM4EPOLBCYP2C9LMNA
SCHEMBL10122958 0.74 AURKA (0.47) AURKAALDH1A1KDM4EMAPTFGFR1

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 10 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-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-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-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
US-20070142368-A1 Substituted pyrazole compounds MIIKANA THERAPEUTICS, INC. 2007-06-21 US disclosed
WO-2007041358-A2 SUBSTITUTED PYRAZOLE COMPOUNDS MIIKANA THERAPEUTICS, INC. (US) 2007-04-12 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 (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 AURKA 2/4885ALDH1A1 3400/4885KDM4E 2120/4885
US-20090264422-A1 METHOD OF TREATING DISEASE STATES USING SUBSTITUTED PYRAZOLE COMPOUNDS AURKC, AURKA, AURKB AURKA 2/4885ALDH1A1 2876/4885KDM4E 2305/4885

“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.