SCHEMBL2201789

SCHEMBL2201789

N#Cc1c(-c2ccc(Oc3ccccc3)cc2)cc(C2CCC3(CC2)OCCO3)nc1S(=O)(=O)C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.40
NPSR1 Q6W5P4 7/20 0.40
ALDH1A1 P00352 6/20 0.40
KDM4E B2RXH2 6/20 0.40
HPGD P15428 5/20 0.40
GAA P10253 3/20 0.40
MEN1 O00255 3/20 0.40
MAPT P10636 3/20 0.40
PAX8 Q06710 1/20 0.40
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.40
ADORA2A P29274 2/20 0.37
ADORA1 P30542 2/20 0.37
LMNA P02545 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
CYP1A2 P05177 2/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2C9 P11712 2/20 0.36
HTT P42858 2/20 0.36
CYP2C19 P33261 1/20 0.36

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
SCHEMBL12430415 0.88 KMT2A (0.40) KMT2ANPSR1ALDH1A1KDM4EHPGD
SCHEMBL2203091 0.87 ADORA2A (0.39) KMT2ANPSR1ALDH1A1KDM4EHPGD
SCHEMBL12430391 0.77 GAA (0.39) KMT2ANPSR1ALDH1A1KDM4EHPGD
SCHEMBL2206150 0.74 ALDH1A1 (0.47) KMT2ANPSR1ALDH1A1KDM4EHPGD
SCHEMBL2202248 0.73 ATM (0.41) KMT2AALDH1A1KDM4EHPGDGAA
SCHEMBL2200822 0.71 ALDH1A1 (0.39) KMT2ANPSR1ALDH1A1KDM4EHPGD
SCHEMBL8401168 0.69 ALDH1A1 (0.53) KMT2ANPSR1ALDH1A1KDM4EHPGD
SCHEMBL2228976 0.69 BTK (0.46) BTKMAPK1
SCHEMBL2199210 0.68 KMT2A (0.40) KMT2ANPSR1ALDH1A1KDM4EHPGD
SCHEMBL8535627 0.68 ALDH1A1 (0.52) KMT2ANPSR1ALDH1A1KDM4EHPGD

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-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-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
EP-1846402-A1 3-AMINO-PYRAZOLO[3,4B]PYRIDINES USED AS INHIBITORS OF PROTEIN TYROSINE KINASES FOR TREATING ANGIOGENIC, HYPERPROLIFERATIVE OR NEURODEGENERATIVE DISEASES Bayer Schering Pharma Aktiengesellschaft (DE) 2007-10-24 EP disclosed
WO-2006063805-A1 3-AMINO-PYRAZOLO[3,4B]PYRIDINES USED AS INHIBITORS OF PROTEIN TYROSINE KINASES FOR TREATING ANGIOGENIC, HYPERPROLIFERATIVE OR NEURODEGENERATIVE DISEASES BAYER SCHERING PHARMA AKTINGESELLSCHAFT (DE) 2006-06-22 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 (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 KMT2A 1372/4885NPSR1 2199/4885ALDH1A1 2786/4885

“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.