SCHEMBL6885378

SCHEMBL6885378

CCN(CCOC)C(=O)c1cc(N)c2nc(-c3cccs3)nn2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 9/20 0.55
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
MAPT P10636 2/20 0.40
KMT2A Q03164 2/20 0.40
HIF1A Q16665 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
PDE11A Q9HCR9 2/20 0.39
MLYCD O95822 1/20 0.39
UBE2M P61081 2/20 0.38
DCUN1D1 Q96GG9 2/20 0.38
PDE5A O76074 1/20 0.38
CYP3A4 P08684 1/20 0.38
PDE4A P27815 1/20 0.38
PDE6C P51160 1/20 0.38
PDE7A Q13946 1/20 0.38
PDE10A Q9Y233 1/20 0.38
NAMPT P43490 1/20 0.36
CAMK2D Q13557 1/20 0.36
MEN1 O00255 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
SCHEMBL6885020 0.87 ADORA2A (0.61) ADORA2AKDM4EALDH1A1MAPTKMT2A
SCHEMBL6885567 0.86 ADORA2A (0.52) ADORA2AKDM4EALDH1A1MAPTNPSR1
SCHEMBL6886948 0.84 ADORA2A (0.69) ADORA2AKDM4EALDH1A1MAPTKMT2A
SCHEMBL6877248 0.82 ADORA2A (0.63) ADORA2AKDM4EALDH1A1MAPTKMT2A
SCHEMBL6884968 0.82 ADORA2A (0.58) ADORA2A
SCHEMBL989657 0.80 ADORA2A (0.60) ADORA2AKDM4EALDH1A1KMT2ANPSR1
SCHEMBL6885334 0.80 ADORA2A (0.66) ADORA2AALDH1A1MLYCD
SCHEMBL6882930 0.79 ADORA2A (0.67) ADORA2AKDM4EALDH1A1MAPTKMT2A
SCHEMBL6876885 0.78 ADORA2A (0.63) ADORA2ACAMK2D
SCHEMBL18269273 0.78 ADORA2A (0.49) ADORA2AMLYCDNAMPT

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-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
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 (3 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 1163/4885KDM4E 4325/4885ALDH1A1 607/4885
US-20160346186-A1 METHODS AND COMPOSITIONS FOR INHIBITING OR REDUCING HAIR LOSS, ACNE, ROSACEA, PROSTATE CANCER, AND BPH AR, BPHL, PTGS2 ADORA2A 1163/4885KDM4E 4325/4885ALDH1A1 607/4885
US-10849841-B2 Methods and compositions for inhibiting or reducing hair loss, acne, rosacea, prostate cancer, and BPH AR, BPHL, PTGS2 ADORA2A 1163/4885KDM4E 4325/4885ALDH1A1 607/4885

“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.