SCHEMBL3731483

SCHEMBL3731483

CCc1n[nH]c2ncc(C3CC3)c(N3CCNCC3)c12

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HTR2C P28335 2/20 0.34
▸ HTR2B P41595 2/20 0.34
▸ HTR2A P28223 1/20 0.34
▸ HTR1A P08908 1/20 0.33
▸ SLC6A2 P23975 1/20 0.33
▸ SLC6A4 P31645 1/20 0.33
▸ RET P07949 1/20 0.32
▸ ADRB2 P07550 1/20 0.32
▸ HRH4 Q9H3N8 2/20 0.31
▸ PDE10A Q9Y233 1/20 0.31
▸ TYRO3 Q06418 2/20 0.30
▸ MERTK Q12866 2/20 0.30
▸ FLT3 P36888 1/20 0.30
▸ GAS6 Q14393 1/20 0.30
▸ AXL P30530 1/20 0.30
▸ HDAC3 O15379 1/20 0.30
▸ HDAC1 Q13547 1/20 0.30
▸ HDAC2 Q92769 1/20 0.30

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 SCHEMBL3740335 0.99 HTR2C (0.33) HTR2CHTR2BHTR2AHTR1ASLC6A2
SCHEMBL3731154 0.81 HTR2C (0.35) HTR2CHTR2BHTR1ASLC6A2SLC6A4
SCHEMBL3735764 0.81 CHRNB2 (0.34) HTR2CHTR2BHTR1ASLC6A2SLC6A4
Hydrochloric Acid SCHEMBL3716412 0.81 HTR2C (0.34) HTR2CHTR2BHTR1ASLC6A2SLC6A4
Hydrochloric Acid SCHEMBL3722421 0.80 PDE10A (0.33) HTR2CHTR2BHTR1ASLC6A2SLC6A4
SCHEMBL3730806 0.79 HTR2C (0.33) HTR2CHTR2BHTR1ASLC6A2SLC6A4
SCHEMBL11961270 0.78 HRH2 (0.39) —
Hydrochloric Acid SCHEMBL3726786 0.78 HTR2C (0.33) HTR2CHTR2BHTR1ASLC6A2SLC6A4
Hydrochloric Acid SCHEMBL3729109 0.77 HRH2 (0.38) —
SCHEMBL3801386 0.74 PDE10A (0.35) HTR2CHTR2BHTR2AHTR1ASLC6A4

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 9 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
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 HTR2C 3917/4885HTR2B 4378/4885HTR2A 4199/4885

“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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