SCHEMBL3735648

SCHEMBL3735648

COC(=O)/C=C/c1n[nH]c2ncc(-c3ccccc3)c(N3CCNCC3)c12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 3/20 0.38
▸ KDM4E B2RXH2 3/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ HSP90AA1 P07900 1/20 0.35
▸ HSP90AB1 P08238 1/20 0.35
▸ ACVR1 Q04771 2/20 0.35
▸ HDAC3 O15379 2/20 0.34
▸ HDAC2 Q92769 2/20 0.34
▸ HTR1A P08908 3/20 0.34
▸ HTR7 P34969 3/20 0.34
▸ HTR2A P28223 1/20 0.34
▸ HTR5A P47898 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ IP6K1 Q92551 1/20 0.34
▸ IP6K3 Q96PC2 1/20 0.34
▸ IP6K2 Q9UHH9 1/20 0.34

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
SCHEMBL3724157 1.00 HTR6 (0.38) HTR6KDM4EKMT2ASMN1; SMN2HSP90AA1
Hydrochloric Acid SCHEMBL3736652 0.99 HTR6 (0.38) HTR6KDM4EKMT2ASMN1; SMN2HSP90AA1
Hydrochloric Acid SCHEMBL3736648 0.99 HTR6 (0.38) HTR6KDM4EKMT2ASMN1; SMN2HSP90AA1
SCHEMBL11961746 0.82 PIK3CD (0.39) KMT2ASMN1; SMN2ALDH1A1MAPTHTT
Hydrochloric Acid SCHEMBL3731141 0.81 PIK3CD (0.38) KMT2ASMN1; SMN2ALDH1A1MAPTHTT
Hydrochloric Acid SCHEMBL3731146 0.81 PIK3CD (0.38) KMT2ASMN1; SMN2ALDH1A1MAPTHTT
Hydrochloric Acid SCHEMBL3731139 0.81 PIK3CD (0.38) KMT2ASMN1; SMN2ALDH1A1MAPTHTT
SCHEMBL3723979 0.80 HTR6 (0.36) HTR6HSP90AA1HSP90AB1ACVR1HTR1A
SCHEMBL3723972 0.80 HTR6 (0.36) HTR6HSP90AA1HSP90AB1ACVR1HTR1A
Hydrochloric Acid SCHEMBL3726162 0.79 HTR6 (0.35) HTR6HSP90AA1HSP90AB1ACVR1HTR1A

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 13 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
CN-101965347-B Pyrazolopyridines as kinase inhibitors ARRAY BIOPHARMA INC 2013-01-02 — — CN 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
CN-101965347-A Pyrazolopyridines as kinase inhibitors ARRAY BIOPHARMA INC 2011-02-02 — — CN 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 4093/4885KDM4E 3710/4885KMT2A 3016/4885

“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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