SCHEMBL2230446

SCHEMBL2230446

Cc1ccc(-c2cc(C3CCC4(CC3)OCCO4)nc3[nH]nc(N)c23)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV3 Q8NET8 1/20 0.36
KDM4E B2RXH2 7/20 0.36
HPGD P15428 6/20 0.36
MAPT P10636 5/20 0.36
ALDH1A1 P00352 4/20 0.36
MAPK1 P28482 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
LMNA P02545 2/20 0.36
HCRTR1 O43613 1/20 0.36
KIT P10721 1/20 0.34
KDR P35968 1/20 0.34
FLT3 P36888 1/20 0.34
PDE10A Q9Y233 2/20 0.33
ABL1 P00519 2/20 0.32
BCR P11274 2/20 0.32
PPARG P37231 2/20 0.32
MCL1 Q07820 2/20 0.32
NR2E3 Q9Y5X4 2/20 0.32
NCOR2 Q9Y618 2/20 0.32
ADORA2A P29274 1/20 0.32

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
SCHEMBL2228976 0.85 BTK (0.46) MAPK1BTK
SCHEMBL2230493 0.84 BTK (0.41) KDM4EHPGDMAPTALDH1A1KIT
SCHEMBL2232196 0.81 KDR (0.38) KDM4EHPGDMAPTALDH1A1LMNA
SCHEMBL2228604 0.79 IGF1R (0.42) KITKDRFLT3AURKAPDPK1
SCHEMBL6116000 0.79 BTK (0.51) KDM4EHPGDMAPTALDH1A1L3MBTL1
SCHEMBL2230196 0.77 HRH3 (0.37) KDM4EALDH1A1KITKDRFLT3
SCHEMBL2230755 0.76 KDR (0.37) KITKDRFLT3ABL1BCR
SCHEMBL2229472 0.76 HPGD (0.36) KDM4EHPGDMAPTALDH1A1MAPK1
SCHEMBL2204274 0.76 MAPT (0.51) KDM4EHPGDMAPTALDH1A1MAPK1
SCHEMBL2819157 0.75 KIT (0.47) KDM4EMAPTALDH1A1LMNAKIT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1846402-B1 3-AMINO-PYRAZOLO[3,4B]PYRIDINES USED AS INHIBITORS OF PROTEIN TYROSINE KINASES FOR TREATING ANGIOGENIC, HYPERPROLIFERATIVE OR NEURODEGENERATIVE DISEASES BAYER IP GMBH (DE) 2014-02-26 EP disclosed
US-7977325-B2 3-amino-pyrazolo[3,4b]pyridines as inhibitors of protein tyrosine kinases, their production and use as pharmaceutical agents BAYER SCHERING PHARMA AG (DE) 2011-07-12 US disclosed
US-7977325-B2 3-amino-pyrazolo[3,4b]pyridines as inhibitors of protein tyrosine kinases, their production and use as pharmaceutical agents BAYER SCHERING PHARMA AG (DE) 2011-07-12 US disclosed
US-7977325-B2 3-amino-pyrazolo[3,4b]pyridines as inhibitors of protein tyrosine kinases, their production and use as pharmaceutical agents BAYER SCHERING PHARMA AG (DE) 2011-07-12 US disclosed
US-20090030010-A1 3-Amino-pyrazolo[3,4b]pyridines as inhibitors of protein tyrosine kinases, their production and use as pharmaceutical agents GENESYS CLOUD SERVICES, INC. 2009-01-29 US disclosed
US-20090030010-A1 3-Amino-pyrazolo[3,4b]pyridines as inhibitors of protein tyrosine kinases, their production and use as pharmaceutical agents GENESYS CLOUD SERVICES, INC. 2009-01-29 US disclosed
US-20090030010-A1 3-Amino-pyrazolo[3,4b]pyridines as inhibitors of protein tyrosine kinases, their production and use as pharmaceutical agents GENESYS CLOUD SERVICES, INC. 2009-01-29 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 (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-20090030010-A1 3-Amino-pyrazolo[3,4b]pyridines as inhibitors of protein tyrosine kinases, their production and use as pharmaceutical agents MAP4K2, ABL1, MAP4K3 TRPV3 3451/4885KDM4E 1340/4885HPGD 2273/4885

“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.