SCHEMBL990432

SCHEMBL990432

CC1CCCN(C(=O)c2cc(N)c3nc(-c4ccc(Br)o4)nn3c2)C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 20/20 1.00

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
SCHEMBL6885158 0.90 ADORA2A (0.82) ADORA2A
SCHEMBL6878224 0.89 ADORA2A (0.80) ADORA2A
SCHEMBL12923670 0.89 ADORA2A (0.80) ADORA2A
SCHEMBL991589 0.88 ADORA2A (1.00) ADORA2A
SCHEMBL991060 0.87 ADORA2A (1.00) ADORA2A
SCHEMBL991797 0.85 ADORA2A (1.00) ADORA2A
SCHEMBL990511 0.85 ADORA2A (1.00) ADORA2A
SCHEMBL6878200 0.85 ADORA2A (0.77) ADORA2A
SCHEMBL990961 0.83 ADORA2A (1.00) ADORA2A
SCHEMBL6885255 0.82 ADORA2A (0.70) ADORA2A

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1435952-A1 8-AMINO- 1,2,4]TRIAZOLO 1,5-A]PYRIDINE-6-CARBOXYLIC ACID AMIDE F. HOFFMANN-LA ROCHE AG (CH) 2004-07-14 EP claimed
US-6689790-B2 8-AMINO-6-AMIDO-SUBSTITUTED-(1,2,4)TRIAZOLO(1,5-A)PYRIDINES; ADENOSINE RECEPTOR MODULATERS HOFFMANN-LA ROCHE INC. 2004-02-10 US claimed
US-20030207911-A1 Substituted triazolopyridine compounds HOFFMANN-LA ROCHE INC. 2003-11-06 US claimed
WO-2003030904-A1 8-AMINO-[1,2,4]TRIAZOLO[1,5-A]PYRIDINE-6-CARBOXYLIC ACID AMIDE F. HOFFMANN-LA ROCHE AG (CH) 2003-04-17 WO claimed
US-10849841-B2 Methods and compositions for inhibiting or reducing hair loss, acne, rosacea, prostate cancer, and BPH THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2020-12-01 US disclosed
US-9889082-B2 Methods and compositions for inhibiting or reducing hair loss, acne, rosacea, prostate cancer, and BPH THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2018-02-13 US disclosed
US-9889082-B2 Methods and compositions for inhibiting or reducing hair loss, acne, rosacea, prostate cancer, and BPH THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2018-02-13 US disclosed
EP-3175856-A1 METHODS AND COMPOSITIONS FOR INHIBITING OR REDUCING HAIR LOSS The Trustees of the University of Pennsylvania (US) 2017-06-07 EP disclosed
US-20160346186-A1 METHODS AND COMPOSITIONS FOR INHIBITING OR REDUCING HAIR LOSS, ACNE, ROSACEA, PROSTATE CANCER, AND BPH THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2016-12-01 US disclosed
US-20160346186-A1 METHODS AND COMPOSITIONS FOR INHIBITING OR REDUCING HAIR LOSS, ACNE, ROSACEA, PROSTATE CANCER, AND BPH THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2016-12-01 US disclosed
US-9254293-B2 Methods and compositions for inhibiting or reducing hair loss, acne, rosacea, prostate cancer, and BPH THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2016-02-09 US disclosed
US-9254293-B2 Methods and compositions for inhibiting or reducing hair loss, acne, rosacea, prostate cancer, and BPH THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2016-02-09 US disclosed
US-20110021599-A1 METHODS AND COMPOSITIONS FOR INHIBITING OR REDUCING HAIR LOSS, ACNE, ROSACEA, PROSTATE CANCER, AND BPH THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA 2011-01-27 US disclosed
US-20110021599-A1 METHODS AND COMPOSITIONS FOR INHIBITING OR REDUCING HAIR LOSS, ACNE, ROSACEA, PROSTATE CANCER, AND BPH THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA 2011-01-27 US disclosed
US-20110021599-A1 METHODS AND COMPOSITIONS FOR INHIBITING OR REDUCING HAIR LOSS, ACNE, ROSACEA, PROSTATE CANCER, AND BPH THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA 2011-01-27 US disclosed
EP-1435952-A1 8-AMINO- 1,2,4]TRIAZOLO 1,5-A]PYRIDINE-6-CARBOXYLIC ACID AMIDE F. HOFFMANN-LA ROCHE AG (CH) 2004-07-14 EP disclosed
US-6689790-B2 8-AMINO-6-AMIDO-SUBSTITUTED-(1,2,4)TRIAZOLO(1,5-A)PYRIDINES; ADENOSINE RECEPTOR MODULATERS HOFFMANN-LA ROCHE INC. 2004-02-10 US disclosed
US-20030207911-A1 Substituted triazolopyridine compounds HOFFMANN-LA ROCHE INC. 2003-11-06 US disclosed
WO-2003030904-A1 8-AMINO-[1,2,4]TRIAZOLO[1,5-A]PYRIDINE-6-CARBOXYLIC ACID AMIDE F. HOFFMANN-LA ROCHE AG (CH) 2003-04-17 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 (4 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-20110021599-A1 METHODS AND COMPOSITIONS FOR INHIBITING OR REDUCING HAIR LOSS, ACNE, ROSACEA, PROSTATE CANCER, AND BPH AR, BPHL, PTGS2 ADORA2A 1163/4885
US-20160346186-A1 METHODS AND COMPOSITIONS FOR INHIBITING OR REDUCING HAIR LOSS, ACNE, ROSACEA, PROSTATE CANCER, AND BPH AR, BPHL, PTGS2 ADORA2A 1163/4885
US-20030207911-A1 Substituted triazolopyridine compounds ADORA1, CNR1, ADORA2B ADORA2A 5/4885
US-10849841-B2 Methods and compositions for inhibiting or reducing hair loss, acne, rosacea, prostate cancer, and BPH AR, BPHL, PTGS2 ADORA2A 1163/4885

“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.