SCHEMBL6879136

SCHEMBL6879136

Cc1ccc(-c2nc3c(N)cc(C(=O)N4CCCC4)cn3n2)s1

nearest known ligand 0.70

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 16/20 0.70
KMT2A Q03164 1/20 0.47
ATM Q13315 1/20 0.47
HDAC3 O15379 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC2 Q92769 1/20 0.44
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.39
PKM P14618 1/20 0.39
RAB9A P51151 1/20 0.39
HPGD P15428 1/20 0.39
MAPK1 P28482 1/20 0.39

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
SCHEMBL6883910 0.99 ADORA2A (0.69) ADORA2AKMT2AATMHDAC3HDAC1
SCHEMBL6882517 0.92 ADORA2A (0.63) ADORA2AKMT2AATMHPGD
SCHEMBL6886926 0.88 ADORA2A (0.67) ADORA2A
SCHEMBL6885386 0.84 ADORA2A (0.66) ADORA2AHPGD
SCHEMBL19860373 0.83 ADORA2A (0.52) ADORA2AKMT2AATMHDAC3HDAC1
SCHEMBL6887128 0.83 ADORA2A (1.00) ADORA2AHDAC3HDAC1HDAC2NPC1
SCHEMBL6876909 0.82 ADORA2A (0.98) ADORA2AHDAC3HDAC1HDAC2NPC1
SCHEMBL6883434 0.81 ADORA2A (0.46) ADORA2AKMT2AATMALDH1A1HPGD
SCHEMBL6879384 0.80 ADORA2A (0.68) ADORA2A
SCHEMBL18269272 0.80 ADORA2A (0.68) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20110021599-A1 METHODS AND COMPOSITIONS FOR INHIBITING OR REDUCING HAIR LOSS, ACNE, ROSACEA, PROSTATE CANCER, AND BPH AR, BPHL, PTGS2 ADORA2A 1163/4885KMT2A 3141/4885ATM 1685/4885

“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.