Sugi Predict

Sugi Predict / Compounds / SCHEMBL12370022

SCHEMBL12370022

SCHEMBL12370022

CC(C)CC(=O)Nc1cncc(-c2cnc3[nH]nc(-c4nc5c(-c6cccc(F)c6)ccnc5[nH]4)c3c2)c1

nearest known ligand 0.70

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CLK2 P49760 9/20 0.70
▸ CLK3 P49761 9/20 0.70
▸ DYRK1A Q13627 9/20 0.70
▸ CLK1 P49759 1/20 0.70
▸ GSK3B P49841 1/20 0.70
▸ DYRK2 Q92630 1/20 0.70
▸ CLK4 Q9HAZ1 1/20 0.70
▸ DYRK1B Q9Y463 1/20 0.70
▸ WNT1 P04628 12/20 0.70
▸ TGFBR1 P36897 5/20 0.60

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
SCHEMBL12369999 0.93 CLK2 (0.68) CLK2CLK3DYRK1ACLK1GSK3B
SCHEMBL17629095 0.93 CLK2 (0.82) CLK2CLK3DYRK1ACLK1GSK3B
SCHEMBL12370011 0.93 CLK2 (0.69) CLK2CLK3DYRK1ACLK1GSK3B
SCHEMBL12369964 0.92 CLK2 (0.60) CLK2CLK3DYRK1ACLK1GSK3B
SCHEMBL12370019 0.92 CLK2 (0.69) CLK2CLK3DYRK1ACLK1GSK3B
SCHEMBL17638398 0.92 WNT1 (0.69) CLK2CLK3DYRK1ACLK1GSK3B
SCHEMBL17557442 0.91 WNT1 (0.69) CLK2CLK3DYRK1ACLK1GSK3B
SCHEMBL17565053 0.91 WNT1 (0.60) CLK2CLK3DYRK1ACLK1GSK3B
SCHEMBL17563757 0.91 CLK2 (0.64) CLK2CLK3DYRK1ACLK1GSK3B
SCHEMBL12370268 0.91 CLK2 (0.76) CLK2CLK3DYRK1ACLK1GSK3B

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 33 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180141963-A1 3-(3H-IMIDAZO[4,5-B]PYRIDIN-2-YL)-1H-PYRAZOLO[3,4-B]PYRIDINE AND THERAPEUTIC USES THEREOF MED-PATHWAYS II LIMITED (VG) 2018-05-24 — — US disclosed
US-9855272-B2 1H-pyrazolo[3,4-B]pyridines and therapeutic uses thereof SAMUMED, LLC (US) 2018-01-02 — — US disclosed
EP-3001903-B1 1H-PYRAZOLO[3,4-B]PYRIDINES AND THERAPEUTIC USES THEREOF SAMUMED LLC (US) 2017-10-25 — — EP disclosed
US-9758531-B2 3-(3H-imidazo[4,5-B]pyridin-2-yl)-1H-pyrazolo[3,4-B]pyridine and therapeutic uses thereof SAMUMED, LLC (US) 2017-09-12 — — US disclosed
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-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-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-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-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-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-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
US-20110190290-A1 1H-PYRAZOLO[3,4-B]PYRIDINES AND THERAPEUTIC USES THEREOF EPITHERIX, LLC (US) 2011-08-04 — — US disclosed
WO-2011084486-A1 1H-PYRAZOLO[3,4-B]PYRIDINES AND THERAPEUTIC USES THEREOF EPITHERIX, LLC (US) 2011-07-14 — — 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 (6 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-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-20180141963-A1 3-(3H-IMIDAZO[4,5-B]PYRIDIN-2-YL)-1H-PYRAZOLO[3,4-B]PYRIDINE AND THERAPEUTIC USES THEREOF WNT1, WNT3, WNT3A CLK2 2494/4885CLK3 2185/4885DYRK1A 931/4885
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.