SCHEMBL3718101

SCHEMBL3718101

COc1n[nH]c2ncc(-c3ccccc3)c(N3CCNCC3)c12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR7 P34969 9/20 0.40
▸ HTR6 P50406 6/20 0.40
▸ HTR1A P08908 5/20 0.40
▸ HTR2A P28223 2/20 0.40
▸ HTR5A P47898 1/20 0.40
▸ HTR2B P41595 5/20 0.39
▸ PDE10A Q9Y233 2/20 0.38
▸ HTR3A P46098 4/20 0.38
▸ HTR2C P28335 1/20 0.38
▸ HSP90AA1 P07900 1/20 0.38
▸ HSP90AB1 P08238 1/20 0.38
▸ KHK P50053 1/20 0.38
▸ TGFBR1 P36897 3/20 0.37
▸ HTR3E A5X5Y0 1/20 0.36
▸ HTR3B O95264 1/20 0.36
▸ ADRB1 P08588 1/20 0.36
▸ DRD2 P14416 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ DRD3 P35462 1/20 0.36
▸ HTR3D Q70Z44 1/20 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
Hydrochloric Acid SCHEMBL3718488 0.99 HTR7 (0.39) HTR7HTR6HTR1AHTR2AHTR5A
Hydrochloric Acid SCHEMBL3714229 0.81 HSP90AA1 (0.37) HTR7HTR6HTR1AHTR2AHTR5A
Hydrochloric Acid SCHEMBL3714216 0.81 HSP90AA1 (0.37) HTR7HTR6HTR1AHTR2AHTR5A
SCHEMBL3735764 0.79 CHRNB2 (0.34) HTR7HTR6HTR1AHTR2BPDE10A
SCHEMBL3735648 0.79 HTR6 (0.38) HTR7HTR6HTR1AHTR2AHTR5A
SCHEMBL3724157 0.79 HTR6 (0.38) HTR7HTR6HTR1AHTR2AHTR5A
Hydrochloric Acid SCHEMBL3722421 0.78 PDE10A (0.33) HTR7HTR6HTR1AHTR2BPDE10A
Hydrochloric Acid SCHEMBL3736652 0.78 HTR6 (0.38) HTR7HTR6HTR1AHTR2AHTR5A
Hydrochloric Acid SCHEMBL3736648 0.78 HTR6 (0.38) HTR7HTR6HTR1AHTR2AHTR5A
SCHEMBL3723414 0.75 ROCK1 (0.44) HTR7HTR6HTR1AHTR2AHTR5A

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 5 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
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
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

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 HTR7 3955/4885HTR6 4093/4885HTR1A 3899/4885

“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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