SCHEMBL4633370

SCHEMBL4633370

CCc1cccc(C(=O)CC#N)c1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BCL2 P10415 1/20 0.44
KAT6A Q92794 2/20 0.43
SMYD3 Q9H7B4 1/20 0.43
CNR2 P34972 1/20 0.43
LOXL2 Q9Y4K0 1/20 0.41
GSK3B P49841 1/20 0.41
CYP4F2 P78329 2/20 0.41
CYP4A11 Q02928 2/20 0.41
CTSB P07858 1/20 0.40
KCNH2 Q12809 2/20 0.40
MRGPRX4 Q96LA9 1/20 0.39
MGLL Q99685 1/20 0.39
MCL1 Q07820 1/20 0.39
FOLH1 Q04609 1/20 0.39

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
SCHEMBL397191 0.84 GSK3B (0.50) GSK3BKCNH2MCL1
SCHEMBL11338354 0.83 FOLH1 (0.41) GSK3BCTSBFOLH1
SCHEMBL3033628 0.80 BCL2 (0.50) BCL2KAT6ASMYD3CNR2LOXL2
SCHEMBL30951011 0.79 PARP1 (0.52) GSK3BKCNH2
SCHEMBL135970 0.79 PARP1 (0.52) GSK3BKCNH2
SCHEMBL1786567 0.79 PARP1 (0.52) GSK3BCTSBKCNH2
SCHEMBL135211 0.79 ALDH1A1 (0.53)
SCHEMBL924897 0.79 CYP4F2 (0.49) BCL2KAT6ASMYD3CNR2LOXL2
Acetonitrile SCHEMBL17008407 0.79 PARP1 (0.47) GSK3BCTSBKCNH2
SCHEMBL7827586 0.79 LOXL2 (0.51) LOXL2CYP4F2CYP4A11MRGPRX4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11578071-B2 Preparation of pyrazolo[3,4-B]pyridines as antimalarials UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2023-02-14 US disclosed
US-20210101901-A1 PREPARATION OF PYRAZOLO[3,4-B]PYRIDINES AS ANTIMALARIALS CAL POLY CORPORATION 2021-04-08 US disclosed
WO-2021067967-A1 PREPARATION OF PYRAZOLO[3,4-B]PYRIDINES AS ANTIMALARIALS UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2021-04-08 WO disclosed
EP-1928455-A1 ANILINOPYRAZOLE DERIVATIVES USEFUL FOR THE TREATMENT OF DIABETES Bayer Healthcare, LLC (US) 2008-06-11 EP disclosed
WO-2007027842-A1 ANILINOPYRAZOLE DERIVATIVES USEFUL FOR THE TREATMENT OF DIABETES BAYER HEALTHCARE LLC (US) 2007-03-08 WO disclosed
WO-2007027842-A1 ANILINOPYRAZOLE DERIVATIVES USEFUL FOR THE TREATMENT OF DIABETES BAYER HEALTHCARE LLC (US) 2007-03-08 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-20210101901-A1 PREPARATION OF PYRAZOLO[3,4-B]PYRIDINES AS ANTIMALARIALS PNPO, NOX3, G6PD BCL2 1497/4885KAT6A 3844/4885SMYD3 1795/4885
US-11578071-B2 Preparation of pyrazolo[3,4-B]pyridines as antimalarials PNPO, NOX3, G6PD BCL2 1497/4885KAT6A 3844/4885SMYD3 1795/4885

“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.