SCHEMBL18452014

SCHEMBL18452014

c1ccc(CNCc2cncc(-c3cnc4[nH]ncc4c3)c2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 2/20 0.43
▸ PIK3CD O00329 1/20 0.43
▸ PIK3R1 P27986 1/20 0.43
▸ PIK3CB P42338 1/20 0.43
▸ MTOR P42345 1/20 0.43
▸ PIK3CG P48736 1/20 0.43
▸ WNT1 P04628 3/20 0.42
▸ TGFBR1 P36897 2/20 0.41
▸ NAMPT P43490 1/20 0.41
▸ ROCK2 O75116 3/20 0.40
▸ CLK2 P49760 5/20 0.40
▸ DYRK1A Q13627 5/20 0.40
▸ CDK2 P24941 3/20 0.40
▸ RPS6KB1 P23443 2/20 0.40
▸ ROCK1 Q13464 2/20 0.40
▸ PKN2 Q16513 2/20 0.40
▸ AURKB Q96GD4 2/20 0.40
▸ MKNK2 Q9HBH9 2/20 0.40
▸ STK17A Q9UEE5 2/20 0.40
▸ MAPK1 P28482 2/20 0.40

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
SCHEMBL19882573 0.85 DYRK1A (0.57) WNT1ROCK2CLK2DYRK1ACDK2
SCHEMBL24137467 0.83 KCNH2 (0.49) PIK3CAPIK3CDPIK3R1PIK3CBMTOR
SCHEMBL24137515 0.80 RPS6KB1 (0.52) PIK3CAPIK3CDPIK3R1PIK3CBMTOR
SCHEMBL29930718 0.76 AXL (0.61) PIK3CAPIK3CDPIK3R1PIK3CBMTOR
SCHEMBL18453812 0.73 CLK2 (0.66) WNT1TGFBR1CLK2DYRK1ACLK3
SCHEMBL15365505 0.72 WNT1 (0.54) WNT1TGFBR1CLK2DYRK1ACLK3
SCHEMBL20992914 0.71 CLK2 (0.57) WNT1TGFBR1CLK2DYRK1ACLK3
SCHEMBL24137567 0.71 DYRK1A (0.56) TGFBR1ROCK2CLK2DYRK1ACDK2
SCHEMBL18452070 0.71 CLK2 (0.58) WNT1TGFBR1CLK2DYRK1ACLK3
SCHEMBL29930911 0.70 L3MBTL1 (0.58) PIK3CAPIK3CDPIK3R1PIK3CBMTOR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180221352-A1 3-(1H-PYRROLO[2,3-C]PYRIDIN-2-YL)-1H-PYRAZOLO[3,4-B]PYRIDINES AND THERAPEUTIC USES THEREOF SAMUMED, LLC 2018-08-09 — — US disclosed
US-20180221352-A1 3-(1H-PYRROLO[2,3-C]PYRIDIN-2-YL)-1H-PYRAZOLO[3,4-B]PYRIDINES AND THERAPEUTIC USES THEREOF SAMUMED, LLC 2018-08-09 — — US disclosed
US-20180221352-A1 3-(1H-PYRROLO[2,3-C]PYRIDIN-2-YL)-1H-PYRAZOLO[3,4-B]PYRIDINES AND THERAPEUTIC USES THEREOF SAMUMED, LLC 2018-08-09 — — US disclosed
WO-2017023981-A1 3-(1H-PYRROLO[2,3-C]PYRIDIN-2-YL)-1H-PYRAZOLO[3,4-B]PYRIDINES AND THERAPEUTIC USES THEREOF SAMUMED, LLC. (US) 2017-02-09 — — 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-20180221352-A1 3-(1H-PYRROLO[2,3-C]PYRIDIN-2-YL)-1H-PYRAZOLO[3,4-B]PYRIDINES AND THERAPEUTIC USES THEREOF WNT1, WNT3A, WNT3 PIK3CA 441/4885PIK3CD 707/4885PIK3R1 1478/4885

“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.

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