SCHEMBL3723972

SCHEMBL3723972

C(=C\c1n[nH]c2ncc(-c3ccccc3)c(N3CCNCC3)c12)\c1cn[nH]c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 6/20 0.36
▸ HTR1A P08908 5/20 0.36
▸ HTR7 P34969 5/20 0.36
▸ HTR2B P41595 4/20 0.36
▸ HSP90AA1 P07900 1/20 0.35
▸ HSP90AB1 P08238 1/20 0.35
▸ HTR2A P28223 2/20 0.34
▸ HTR5A P47898 1/20 0.34
▸ HTR3A P46098 2/20 0.34
▸ CHEK1 O14757 5/20 0.33
▸ CHEK2 O96017 2/20 0.33
▸ ACVR1 Q04771 4/20 0.32
▸ KDR P35968 3/20 0.32
▸ AURKA O14965 2/20 0.32
▸ AURKB Q96GD4 2/20 0.32
▸ TGFBR1 P36897 2/20 0.32
▸ PRKAB1 Q9Y478 2/20 0.32
▸ PDE10A Q9Y233 1/20 0.32
▸ ROCK2 O75116 3/20 0.32
▸ ROCK1 Q13464 2/20 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
SCHEMBL3723979 1.00 HTR6 (0.36) HTR6HTR1AHTR7HTR2BHSP90AA1
Hydrochloric Acid SCHEMBL3726158 0.99 HTR6 (0.35) HTR6HTR1AHTR7HTR2BHSP90AA1
Hydrochloric Acid SCHEMBL3726162 0.99 HTR6 (0.35) HTR6HTR1AHTR7HTR2BHSP90AA1
SCHEMBL3735648 0.80 HTR6 (0.38) HTR6HTR1AHTR7HTR2BHSP90AA1
SCHEMBL3724157 0.80 HTR6 (0.38) HTR6HTR1AHTR7HTR2BHSP90AA1
Hydrochloric Acid SCHEMBL3736652 0.79 HTR6 (0.38) HTR6HTR1AHTR7HTR2BHSP90AA1
Hydrochloric Acid SCHEMBL3736648 0.79 HTR6 (0.38) HTR6HTR1AHTR7HTR2BHSP90AA1
Hydrochloric Acid SCHEMBL3735757 0.79 PIK3CD (0.38) CHEK1CHEK2JAK2JAK1JAK3
Hydrochloric Acid SCHEMBL3735762 0.79 PIK3CD (0.38) CHEK1CHEK2JAK2JAK1JAK3
Hydrochloric Acid SCHEMBL3735751 0.79 PIK3CD (0.38) CHEK1CHEK2JAK2JAK1JAK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8372842-B2 Pyrazolopyridines as kinase inhibitors ARRAY BIOPHARMA INC. (US) 2013-02-12 — — US disclosed
US-8372842-B2 Pyrazolopyridines as kinase inhibitors ARRAY BIOPHARMA INC. (US) 2013-02-12 — — US disclosed
US-8372842-B2 Pyrazolopyridines as kinase inhibitors ARRAY BIOPHARMA INC. (US) 2013-02-12 — — US disclosed
EP-2242757-B1 PYRAZOLOPYRIDINES AS KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2012-08-01 — — EP disclosed
EP-2242757-B1 PYRAZOLOPYRIDINES AS KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2012-08-01 — — EP disclosed
US-20100280043-A1 PYRAZOLOPYRIDINES AS KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2010-11-04 — — US disclosed
US-20100280043-A1 PYRAZOLOPYRIDINES AS KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2010-11-04 — — US disclosed
US-20100280043-A1 PYRAZOLOPYRIDINES AS KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2010-11-04 — — US disclosed
EP-2242757-A1 PYRAZOLOPYRIDINES AS KINASE INHIBITORS Array Biopharma, Inc. (US) 2010-10-27 — — EP disclosed
WO-2009089359-A1 PYRAZOLOPYRIDINES AS KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2009-07-16 — — WO disclosed
WO-2009089359-A1 PYRAZOLOPYRIDINES AS KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2009-07-16 — — 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-20100280043-A1 PYRAZOLOPYRIDINES AS KINASE INHIBITORS CHEK2, CHEK1, BUB1B HTR6 4093/4885HTR1A 3899/4885HTR7 3955/4885

“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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