SCHEMBL3731154

SCHEMBL3731154

Ic1n[nH]c2ncc(C3CC3)c(N3CCNCC3)c12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR2C P28335 1/20 0.35
▸ HTR2B P41595 1/20 0.35
▸ ADRB2 P07550 1/20 0.34
▸ HDAC3 O15379 1/20 0.33
▸ HDAC1 Q13547 1/20 0.33
▸ HDAC2 Q92769 1/20 0.33
▸ CHRNB2 P17787 1/20 0.33
▸ CHRNA4 P43681 1/20 0.33
▸ HTR1A P08908 1/20 0.32
▸ SLC6A2 P23975 1/20 0.32
▸ SLC6A4 P31645 1/20 0.32
▸ IGF1R P08069 1/20 0.31
▸ DDB1 Q16531 1/20 0.30
▸ CRBN Q96SW2 1/20 0.30
▸ CDK1 P06493 1/20 0.30
▸ CDK4 P11802 1/20 0.30
▸ CCNB1 P14635 1/20 0.30
▸ CCNA2 P20248 1/20 0.30
▸ CCND1 P24385 1/20 0.30
▸ CDK2 P24941 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 SCHEMBL3716412 0.99 HTR2C (0.34) HTR2CHTR2BADRB2HDAC3HDAC1
SCHEMBL3735764 0.81 CHRNB2 (0.34) HTR2CHTR2BADRB2CHRNB2CHRNA4
SCHEMBL3730806 0.81 HTR2C (0.33) HTR2CHTR2BADRB2HDAC3HDAC1
SCHEMBL3731483 0.81 HTR2C (0.34) HTR2CHTR2BADRB2HDAC3HDAC1
Hydrochloric Acid SCHEMBL3740335 0.81 HTR2C (0.33) HTR2CHTR2BADRB2HTR1ASLC6A2
Hydrochloric Acid SCHEMBL3726786 0.81 HTR2C (0.33) HTR2CHTR2BADRB2HTR1ASLC6A2
Hydrochloric Acid SCHEMBL3722421 0.81 PDE10A (0.33) HTR2CHTR2BADRB2CHRNB2CHRNA4
Hydrochloric Acid SCHEMBL3735422 0.75 HRH2 (0.39) —
SCHEMBL3736680 0.75 AKT2 (0.41) HTR2CHTR2BADRB2HDAC3HDAC1
Hydrochloric Acid SCHEMBL3721311 0.74 AKT2 (0.40) HTR2CHTR2BADRB2HDAC3HDAC1

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 HTR2C 3917/4885HTR2B 4378/4885ADRB2 2889/4885

“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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