SCHEMBL6876885

SCHEMBL6876885

CN(C)C(=O)CN(C)C(=O)c1cc(N)c2nc(-c3cccs3)nn2c1

nearest known ligand 0.63

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 13/20 0.63
CAMK2D Q13557 1/20 0.38
GRIN2B Q13224 2/20 0.36
ADORA3 P0DMS8 1/20 0.36
ADORA1 P30542 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
SCHEMBL6877248 0.88 ADORA2A (0.63) ADORA2ACAMK2DADORA3ADORA1
SCHEMBL6883010 0.85 ADORA2A (0.64) ADORA2AGRIN2B
SCHEMBL6885332 0.85 ADORA2A (0.67) ADORA2ACAMK2D
SCHEMBL6886917 0.83 ADORA2A (0.67) ADORA2A
SCHEMBL6885020 0.83 ADORA2A (0.61) ADORA2AADORA3ADORA1
SCHEMBL6876889 0.81 ADORA2A (0.64) ADORA2AADORA3
SCHEMBL989657 0.80 ADORA2A (0.60) ADORA2A
SCHEMBL6884911 0.80 ADORA2A (0.71) ADORA2A
SCHEMBL6882930 0.79 ADORA2A (0.67) ADORA2AADORA3ADORA1
SCHEMBL6885378 0.78 ADORA2A (0.55) ADORA2ACAMK2D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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-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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 1163/4885CAMK2D 669/4885GRIN2B 2058/4885
US-20160346186-A1 METHODS AND COMPOSITIONS FOR INHIBITING OR REDUCING HAIR LOSS, ACNE, ROSACEA, PROSTATE CANCER, AND BPH AR, BPHL, PTGS2 ADORA2A 1163/4885CAMK2D 669/4885GRIN2B 2058/4885

“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.