SCHEMBL3735764

SCHEMBL3735764

COc1n[nH]c2ncc(C3CC3)c(N3CCNCC3)c12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRNB2 P17787 3/20 0.34
▸ CHRNA4 P43681 3/20 0.34
▸ PDE10A Q9Y233 3/20 0.34
▸ CSNK1D P48730 1/20 0.34
▸ HTR2B P41595 2/20 0.33
▸ HTR2C P28335 2/20 0.33
▸ HTR1A P08908 3/20 0.33
▸ TGFBR1 P36897 2/20 0.33
▸ SLC6A2 P23975 2/20 0.33
▸ SLC6A4 P31645 2/20 0.33
▸ ACVR1 Q04771 1/20 0.33
▸ RET P07949 1/20 0.32
▸ CDK1 P06493 1/20 0.32
▸ CDK4 P11802 1/20 0.32
▸ CCNB1 P14635 1/20 0.32
▸ CCND1 P24385 1/20 0.32
▸ CCNE1 P24864 1/20 0.32
▸ CDK2 P24941 1/20 0.32
▸ HTR1B P28222 1/20 0.32
▸ HTR7 P34969 1/20 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
Hydrochloric Acid SCHEMBL3722421 0.99 PDE10A (0.33) CHRNB2CHRNA4PDE10ACSNK1DHTR2B
SCHEMBL3731154 0.81 HTR2C (0.35) CHRNB2CHRNA4PDE10AHTR2BHTR2C
SCHEMBL3731483 0.81 HTR2C (0.34) PDE10AHTR2BHTR2CHTR1ASLC6A2
Hydrochloric Acid SCHEMBL3716412 0.81 HTR2C (0.34) CHRNB2CHRNA4HTR2BHTR2CHTR1A
Hydrochloric Acid SCHEMBL3740335 0.80 HTR2C (0.33) PDE10AHTR2BHTR2CHTR1ASLC6A2
SCHEMBL3718101 0.79 HTR7 (0.40) PDE10AHTR2BHTR2CHTR1ATGFBR1
SCHEMBL3730806 0.79 HTR2C (0.33) HTR2BHTR2CHTR1ASLC6A2SLC6A4
Hydrochloric Acid SCHEMBL3718488 0.78 HTR7 (0.39) PDE10AHTR2BHTR2CHTR1ATGFBR1
Hydrochloric Acid SCHEMBL3726786 0.78 HTR2C (0.33) HTR2BHTR2CHTR1ASLC6A2SLC6A4
SCHEMBL11961064 0.77 CFD (0.42) JAK3

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 CHRNB2 2543/4885CHRNA4 3372/4885PDE10A 2217/4885

“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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