SCHEMBL3106965

SCHEMBL3106965

CC(C)CNCc1ccc(C(=O)Nc2n[nH]c3sc(C(=O)O)cc23)cc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 3/20 0.46
CA2 P00918 1/20 0.38
AURKA O14965 3/20 0.38
TBK1 Q9UHD2 2/20 0.37
P2RY14 Q15391 2/20 0.37
FLT3 P36888 2/20 0.35
HDAC6 Q9UBN7 2/20 0.35
CSNK2A2 P19784 1/20 0.35
KDR P35968 1/20 0.35
PLK1 P53350 1/20 0.35
CSNK2B P67870 1/20 0.35
CSNK2A1 P68400 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
SCD O00767 2/20 0.35
CTNNB1 P35222 1/20 0.35
TCF7L2 Q9NQB0 1/20 0.35
KIT P10721 1/20 0.35

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
SCHEMBL3090077 0.88 PRKD1 (0.39) HDAC1AURKAP2RY14FLT3HDAC6
SCHEMBL3093101 0.83 HDAC6 (0.46) HDAC1AURKAP2RY14FLT3HDAC6
SCHEMBL3090928 0.82 FLT3 (0.42) HDAC1AURKATBK1P2RY14FLT3
SCHEMBL4633592 0.82 HDAC6 (0.40) HDAC1AURKAP2RY14FLT3HDAC6
SCHEMBL3102304 0.82 FLT3 (0.50) HDAC1AURKATBK1P2RY14FLT3
SCHEMBL3092925 0.81 HDAC1 (0.45) HDAC1AURKAFLT3HDAC6SCD
SCHEMBL3101901 0.80 HDAC1 (0.47) HDAC1AURKAKDRPLK1CTNNB1
SCHEMBL3107639 0.80 HDAC1 (0.45) HDAC1AURKACTNNB1TCF7L2
SCHEMBL3089944 0.80 FGFR1 (0.50) AURKAHDAC6CSNK2A1
SCHEMBL3090073 0.79 AURKA (0.39) AURKAHDAC6CSNK2A1

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
US-7803829-B2 Use of a kinase inhibitor for the treatment of particular resistant tumors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2010-09-28 US claimed
US-20100022532-A1 USE OF A KINASE INHIBITOR FOR THE TREATMENT OF PARTICULAR RESISTANT TUMORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2010-01-28 US claimed
EP-1711177-B1 1H-THIENO 2,3-c PYRAZOLE DERIVATIVES USEFUL AS KINASE I INHIBITORS PFIZER ITALIA SRL (IT) 2008-05-28 EP claimed
US-20050187209-A1 1H-thieno[2,3-c]pyrazole derivatives useful as kinase inhibitors PHARMACIA ITALIA S.P.A. (IT) 2005-08-25 US claimed
US-8481584-B2 1H-thieno[2,3-c]pyrazole derivatives useful as kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2013-07-09 US disclosed
US-20120165311-A1 1H-THIENO[2,3-C]PYRAZOLE DERIVATIVES USEFUL AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2012-06-28 US disclosed
EP-2007380-A2 USE OF A KINASE INHIBITOR FOR THE TREATMENT OF PARTICULAR RESISTANT TUMORS Nerviano Medical Sciences S.r.l. (IT) 2008-12-31 EP disclosed
EP-1711177-B1 1H-THIENO 2,3-c PYRAZOLE DERIVATIVES USEFUL AS KINASE I INHIBITORS PFIZER ITALIA SRL (IT) 2008-05-28 EP disclosed
WO-2007113198-A2 USE OF A KINASE INHIBITOR FOR THE TREATMENT OF PARTICULAR RESISTANT TUMORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2007-10-11 WO disclosed
US-20050187209-A1 1H-thieno[2,3-c]pyrazole derivatives useful as kinase inhibitors PHARMACIA ITALIA S.P.A. (IT) 2005-08-25 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-20100022532-A1 USE OF A KINASE INHIBITOR FOR THE TREATMENT OF PARTICULAR RESISTANT TUMORS ABL1, ABL2, LTK HDAC1 3934/4885CA2 2274/4885AURKA 257/4885
US-20120165311-A1 1H-THIENO[2,3-C]PYRAZOLE DERIVATIVES USEFUL AS KINASE INHIBITORS MAP3K19, MAP3K1, MAP3K3 HDAC1 801/4885CA2 3624/4885AURKA 349/4885
US-20050187209-A1 1H-thieno[2,3-c]pyrazole derivatives useful as kinase inhibitors MAP3K19, MAP3K1, MAP3K3 HDAC1 786/4885CA2 3668/4885AURKA 340/4885

“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.