SCHEMBL252113

SCHEMBL252113

Cc1cc(NC2=NCCN2)cc2nccnc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 15/20 0.61
ADRA2B P18089 15/20 0.61
ADRA2C P18825 15/20 0.61
ADRA1D P25100 7/20 0.61
ADRA1A P35348 7/20 0.61
ADRA1B P35368 7/20 0.61
KDM4E B2RXH2 1/20 0.49
NR1I2 O75469 1/20 0.49
ALDH1A1 P00352 1/20 0.49
LMNA P02545 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
HTR1A P08908 1/20 0.49
CYP2D6 P10635 1/20 0.49
MAPT P10636 1/20 0.49
HPGD P15428 1/20 0.49
ALOX15 P16050 1/20 0.49
MAPK1 P28482 1/20 0.49
BLM P54132 1/20 0.49
HSD17B10 Q99714 1/20 0.49

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
SCHEMBL251280 0.83 ADRA2A (0.61) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL3346319 0.83 ADRA2A (0.61) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL6785223 0.80 ADRA2A (0.50) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL7028929 0.78 ADRA2A (0.46) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL7028922 0.78 ADRA2A (0.51) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL679239 0.76 ADRA2A (1.00) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL13017190 0.74 ADRA2A (0.66) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL7028091 0.71 ADRA2A (1.00) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL6790047 0.71 ADRA2A (0.47) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL8117240 0.70 ADRA2C (0.55) ADRA2AADRA2BADRA2CADRA1DADRA1A

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 115 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020210889-A1 DYE COMPOSITION FOR MARKING ORGANIC TISSUE WITH ANAESTHETIC AND METHOD FOR APPLYING SAME HEXSEL, DORIS MARIA (BR) 2020-10-22 WO claimed
US-20190269680-A1 USE OF AN ACTIVE SUBSTANCE IN THE TREATMENT OF MELASMA HEXSEL DORIS MARIA (BR) 2019-09-05 US claimed
EP-3476393-A1 USE OF AN ACTIVE SUBSTANCE IN THE TREATMENT OF TELANGIECTATIC MELASMA Hexsel, Doris Maria (BR) 2019-05-01 EP claimed
US-20160166569-A1 METHOD FOR TREATING SKIN THICKENING GALDERMA RESEARCH AND DEVELOPMENT (FR) 2016-06-16 US claimed
US-20150313896-A1 METHOD FOR TREATING CELL PROLIFERATION DISORDERS GALDERMA RESEARCH & DEVELOPMENT (FR) 2015-11-05 US claimed
US-9072739-B2 Method for treating psoriasis Galderma Laboratories, L.P. (US) 2015-07-07 US claimed
US-20150098917-A1 METHOD FOR PREVENTING OR TREATING SKIN TUMOR GALDERMA RESEARCH & DEVELOPMENT (FR) 2015-04-09 US claimed
US-8911713-B2 Method for preventing or treating skin tumor GALDERMA RESEARCH & DEVELOPMENT (FR) 2014-12-16 US claimed
US-20130243705-A1 METHOD FOR PREVENTING OR TREATING SKIN TUMOR GALDERMA RESEARCH & DEVELOPMENT SNC (FR) 2013-09-19 US claimed
US-20130184283-A1 METHOD FOR TREATING PSORIASIS Galderma Laboratories, L.P. (US) 2013-07-18 US claimed
EP-2598129-A2 USE OF ALPHA-ADRENERGIC RECEPTOR AGONIST FOR PREVENTING OR TREATING SKIN TUMOR Galderma Research & Development (FR) 2013-06-05 EP claimed
US-20130116259-A1 COMBINATION THERAPY FOR TREATING OR PREVENTING AN INFLAMMATORY SKIN DISORDER GALDERMA RESEARCH & DEVELOPMENT (FR) 2013-05-09 US claimed
EP-2501373-A1 USE OF ALPHA 2 ADRENERGIC RECEPTOR AGONISTS FOR TREATING OR PREVENTING PSORIASIS Galderma Laboratories LP (US) 2012-09-26 EP claimed
EP-2501410-A2 COMBINATION OF ALPHA-2 ADRENERGIC RECEPTOR AGONIST AND NON-STEROIDAL ANTI-INFLAMMATORY AGENT FOR TREATING OR PREVENTING AN INFLAMMATORY SKIN DISORDER Galderma Research & Development (FR) 2012-09-26 EP claimed
EP-2481412-A1 Compounds, formulations, and methods for treating or preventing inflammatory skin disorders Galderma Pharma S.A. (CH) 2012-08-01 EP claimed
WO-2012001065-A2 METHOD FOR PREVENTING OR TREATING SKIN TUMOR GALDERMA RESEARCH & DEVELOPMENT (FR) 2012-01-05 WO claimed
WO-2011075267-A1 USE OF ALPHA 2 ADRENERGIC RECEPTOR AGONISTS FOR TREATING OR PREVENTING PSORIASIS GALDERMA LABORATORIES LP (US) 2011-06-23 WO claimed
EP-2329849-A1 Combination of alpha-2 adrenergic receptor agonist and non-steroidal anti-inflammatory agent for treating or preventing an inflammatory skin disorder Galderma Research & Development (FR) 2011-06-08 EP claimed
WO-2011061252-A2 COMBINATION THERAPY FOR TREATING OR PREVENTING AN INFLAMMATORY SKIN DISORDER GALDERMA RESEARCH & DEVELOPMENT (FR) 2011-05-26 WO claimed
US-20110118267-A1 Method and Kit for Treating or Preventing Psoriasis Galderma Laboratories, L.P. (US) 2011-05-19 US claimed

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

For each of this compound's patents that has machine-readable text (7 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-20160166569-A1 METHOD FOR TREATING SKIN THICKENING CUTA, EDNRB, TBXA2R ADRA2A 8/4885ADRA2B 9/4885ADRA2C 15/4885
US-20150098917-A1 METHOD FOR PREVENTING OR TREATING SKIN TUMOR ADRB2, ADRA2A, ADRA2C ADRA2A 2/4885ADRA2B 4/4885ADRA2C 3/4885
US-20150313896-A1 METHOD FOR TREATING CELL PROLIFERATION DISORDERS MKI67, ADRB1, ADRA1D ADRA2A 8/4885ADRA2B 9/4885ADRA2C 16/4885
US-20110118267-A1 Method and Kit for Treating or Preventing Psoriasis ADRB2, ADRA2A, ADRA2C ADRA2A 2/4885ADRA2B 4/4885ADRA2C 3/4885
US-20130116259-A1 COMBINATION THERAPY FOR TREATING OR PREVENTING AN INFLAMMATORY SKIN DISORDER ADRB2, ADRA2A, ADRA2C ADRA2A 2/4885ADRA2B 4/4885ADRA2C 3/4885
US-20130243705-A1 METHOD FOR PREVENTING OR TREATING SKIN TUMOR ADRB2, ADRA2A, ADRA2C ADRA2A 2/4885ADRA2B 4/4885ADRA2C 3/4885
US-20130184283-A1 METHOD FOR TREATING PSORIASIS ADRB2, ADRA2A, ADRA2C ADRA2A 2/4885ADRA2B 4/4885ADRA2C 3/4885

“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.