SCHEMBL12397393

SCHEMBL12397393

CCC(=O)Nc1ccc(-c2cnc3[nH]nc(-c4nc5c(C(=O)N(CC)CC)ccnc5[nH]4)c3c2)cn1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CLK2 P49760 8/20 0.40
CLK3 P49761 8/20 0.40
DYRK1A Q13627 8/20 0.40
WNT1 P04628 7/20 0.38
TGFBR1 P36897 1/20 0.38
PIK3C3 Q8NEB9 1/20 0.37
CDK1 P06493 1/20 0.37
RET P07949 1/20 0.37
KDR P35968 1/20 0.37
CCNT1 O60563 1/20 0.36
CCNA2 P20248 1/20 0.36
CDK2 P24941 1/20 0.36
CDK9 P50750 1/20 0.36
TLR9 Q9NR96 2/20 0.36
TLR8 Q9NR97 2/20 0.36
TLR7 Q9NYK1 2/20 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
SCHEMBL12396644 0.93 CLK2 (0.41) CLK2CLK3DYRK1AWNT1TGFBR1
SCHEMBL12397474 0.90 PARP1 (0.43) CLK2CLK3DYRK1AWNT1TGFBR1
SCHEMBL12396270 0.89 CLK2 (0.41) CLK2CLK3DYRK1AWNT1TGFBR1
SCHEMBL12396335 0.88 CDK1 (0.49) CLK2CLK3DYRK1AWNT1TGFBR1
SCHEMBL12370163 0.88 CLK2 (0.51) CLK2CLK3DYRK1AWNT1TGFBR1
SCHEMBL12397352 0.87 CLK2 (0.48) CLK2CLK3DYRK1AWNT1TGFBR1
SCHEMBL12395407 0.85 WNT1 (0.47) CLK2CLK3DYRK1AWNT1TGFBR1
SCHEMBL12396267 0.85 WNT1 (0.44) CLK2CLK3DYRK1AWNT1TGFBR1
SCHEMBL12396628 0.85 CLK2 (0.47) CLK2CLK3DYRK1AWNT1TGFBR1
SCHEMBL12397361 0.85 CLK2 (0.49) CLK2CLK3DYRK1AWNT1TGFBR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170202846-A1 1H-PYRAZOLO[3,4-B]PYRIDINES AND THERAPEUTIC USES THEREOF VICKERS VENTURE FUND VI PTE. LTD. (SG) 2017-07-20 US disclosed
US-9446035-B2 1H-pyrazolo[3,4-b]pyridines and therapeutic uses thereof SAMUMED, LLC (US) 2016-09-20 US disclosed
US-20160101092-A1 1H-PYRAZOLO[3,4-B]PYRIDINES AND THERAPEUTIC USES THEREOF VICKERS VENTURE FUND VI (PLAN) PTE. LTD. (SG) 2016-04-14 US disclosed
US-20160101092-A1 1H-PYRAZOLO[3,4-B]PYRIDINES AND THERAPEUTIC USES THEREOF VICKERS VENTURE FUND VI (PLAN) PTE. LTD. (SG) 2016-04-14 US disclosed
US-9067939-B2 1H-pyrazolo[3,4-b]pyridines and therapeutic uses thereof SAMUMED, LLC (US) 2015-06-30 US disclosed
US-20150045360-A1 1H-PYRAZOLO[3,4-B]PYRIDINES AND THERAPEUTIC USES THEREOF VICKERS VENTURE FUND VI (PLAN) PTE. LTD. (SG) 2015-02-12 US disclosed
US-8901150-B2 1H-pyrazolo[3,4-B]pyridines and therapeutic uses thereof SAMUMED, LLC (US) 2014-12-02 US disclosed
US-20140323479-A1 1H-PYRAZOLO[3,4-B]PYRIDINES AND THERAPEUTIC USES THEREOF VICKERS-SPLICE CO-INVESTMENT LLC (KY) 2014-10-30 US disclosed
US-8846714-B2 1H-pyrazolo[3,4-β]pyridines and therapeutic uses thereof SAMUMED, LLC (US) 2014-09-30 US disclosed
US-8815897-B2 1H-pyrazolo[3,4-B]pyridines and therapeutic uses thereof SAMUMED, LLC (US) 2014-08-26 US disclosed
US-20130296307-A1 1H-PYRAZOLO[3,4-B]PYRIDINES AND THERAPEUTIC USES THEREOF VICKERS VENTURE FUND VI PTE. LTD. (SG) 2013-11-07 US disclosed
US-20130225576-A1 1H-PYRAZOLO[3,4-B]PYRIDINES AND THERAPEUTIC USES THEREOF SAMUMED, LLC (US) 2013-08-29 US disclosed
US-8450340-B2 1H-pyrazolo[3,4-b]pyridines and therapeutic uses thereof SAMUMED, LLC (US) 2013-05-28 US disclosed
US-20110190290-A1 1H-PYRAZOLO[3,4-B]PYRIDINES AND THERAPEUTIC USES THEREOF EPITHERIX, LLC (US) 2011-08-04 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 (7 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-20110190290-A1 1H-PYRAZOLO[3,4-B]PYRIDINES AND THERAPEUTIC USES THEREOF BRCA1, THPO, PDXK CLK2 2380/4885CLK3 2177/4885DYRK1A 2923/4885
US-20130225576-A1 1H-PYRAZOLO[3,4-B]PYRIDINES AND THERAPEUTIC USES THEREOF BRCA1, THPO, PDXK CLK2 2380/4885CLK3 2177/4885DYRK1A 2923/4885
US-20150045360-A1 1H-PYRAZOLO[3,4-B]PYRIDINES AND THERAPEUTIC USES THEREOF BRCA1, THPO, PDXK CLK2 2380/4885CLK3 2177/4885DYRK1A 2923/4885
US-20140323479-A1 1H-PYRAZOLO[3,4-B]PYRIDINES AND THERAPEUTIC USES THEREOF BRCA1, THPO, PDXK CLK2 2380/4885CLK3 2177/4885DYRK1A 2923/4885
US-20160101092-A1 1H-PYRAZOLO[3,4-B]PYRIDINES AND THERAPEUTIC USES THEREOF BRCA1, THPO, PDXK CLK2 2380/4885CLK3 2177/4885DYRK1A 2923/4885
US-20170202846-A1 1H-PYRAZOLO[3,4-B]PYRIDINES AND THERAPEUTIC USES THEREOF BRCA1, THPO, PDXK CLK2 2380/4885CLK3 2177/4885DYRK1A 2923/4885
US-20130296307-A1 1H-PYRAZOLO[3,4-B]PYRIDINES AND THERAPEUTIC USES THEREOF BRCA1, THPO, PDXK CLK2 2380/4885CLK3 2177/4885DYRK1A 2923/4885

“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.