SCHEMBL679239

SCHEMBL679239

c1cnc2cc(NC3=NCCN3)ccc2n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 19/20 1.00
ADRA2C P18825 19/20 1.00
ADRA2B P18089 18/20 1.00
ADRA1D P25100 7/20 1.00
ADRA1A P35348 7/20 1.00
ADRA1B P35368 7/20 1.00
KDM4E B2RXH2 1/20 0.54
NR1I2 O75469 1/20 0.54
ALDH1A1 P00352 1/20 0.54
LMNA P02545 1/20 0.54
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
HTR1A P08908 1/20 0.54
CYP2D6 P10635 1/20 0.54
MAPT P10636 1/20 0.54
HPGD P15428 1/20 0.54
ALOX15 P16050 1/20 0.54
MAPK1 P28482 1/20 0.54
BLM P54132 1/20 0.54
HSD17B10 Q99714 1/20 0.54

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
SCHEMBL8674956 0.92 ADRA2A (0.84) ADRA2AADRA2CADRA2BADRA1DADRA1A
Hydrochloric Acid SCHEMBL7033434 0.86 ADRA2A (0.74) ADRA2AADRA2CADRA2BADRA1DADRA1A
SCHEMBL8117260 0.82 ADRA2A (0.69) ADRA2AADRA2CADRA2BADRA1DADRA1A
SCHEMBL7742994 0.82 ADRA2A (0.69) ADRA2AADRA2CADRA2BADRA1DADRA1A
SCHEMBL5816998 0.82 ADRA2A (0.68) ADRA2AADRA2CADRA2BADRA1DADRA1A
SCHEMBL13516592 0.82 ADRA2A (0.68) ADRA2AADRA2CADRA2BADRA1DADRA1A
SCHEMBL11185457 0.81 ADRA2A (0.68) ADRA2AADRA2CADRA2BADRA1DADRA1A
SCHEMBL11480097 0.81 ADRA2A (0.68) ADRA2AADRA2CADRA2BADRA1DADRA1A
SCHEMBL7091961 0.79 ADRA2A (0.65) ADRA2AADRA2CADRA2BADRA1DADRA1A
SCHEMBL4672878 0.79 ADRA2A (0.65) ADRA2AADRA2CADRA2BADRA1DADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-3153626-A None JP disclosed
US-20170216282-A1 Compounds, Formulations, and Methods for Treating or Preventing Inflammatory Skin Disorders GALDERMA LABORATORIES INC 2017-08-03 US disclosed
US-20160220565-A1 Compounds, Formulations, and Methods for Treating or Preventing Inflammatory Skin Disorders Galderma Laboratories, L.P. (US) 2016-08-04 US disclosed
US-20160166569-A1 METHOD FOR TREATING SKIN THICKENING GALDERMA RESEARCH AND DEVELOPMENT (FR) 2016-06-16 US disclosed
US-9186358-B2 Combination therapy for treating or preventing an inflammatory skin disorder Galderma Laboratories, L.P. (US) 2015-11-17 US disclosed
US-20150313896-A1 METHOD FOR TREATING CELL PROLIFERATION DISORDERS GALDERMA RESEARCH & DEVELOPMENT (FR) 2015-11-05 US disclosed
US-20150202202-A1 COMPOUNDS, FORMULATIONS, AND METHODS FOR TREATING OR PREVENTING INFLAMMATORY SKIN DISORDERS Galderma Laboratories, L.P. (US) 2015-07-23 US disclosed
US-9072739-B2 Method for treating psoriasis Galderma Laboratories, L.P. (US) 2015-07-07 US disclosed
US-20150098917-A1 METHOD FOR PREVENTING OR TREATING SKIN TUMOR GALDERMA RESEARCH & DEVELOPMENT (FR) 2015-04-09 US disclosed
US-8993571-B2 Compounds, formulations, and methods for treating or preventing inflammatory skin disorders Galderma Laboratories, L.P. (US) 2015-03-31 US disclosed
US-5561132-A ADMINISTERING TO ALTER RATE OF FLUID TRANSPORT IN GASTROINTESTINAL TRACT ALLERGAN (US) 1996-10-01 US disclosed
US-5552403-A ANTIISCHEMIC AGENTS ALLERGAN (US) 1996-09-03 US disclosed
EP-0723447-A1 METHODS FOR USING (2-IMIDAZOLIN-2-YLAMINO) QUINOXALINE DERIVATIVES Allergan (US) 1996-07-31 EP disclosed
WO-1995016449-A1 6-(2-IMIDAZOLINYLAMINO)QUINOXALINE COMPOUNDS USEFUL AS ALPHA-2 ADRENOCEPTOR AGONISTS THE PROCTER & GAMBLE COMPANY (US) 1995-06-22 WO disclosed
WO-1995016449-A1 6-(2-IMIDAZOLINYLAMINO)QUINOXALINE COMPOUNDS USEFUL AS ALPHA-2 ADRENOCEPTOR AGONISTS THE PROCTER & GAMBLE COMPANY (US) 1995-06-22 WO disclosed
EP-0426390-B1 Method for using (2-imidazolin-2-ylamino) quinoxalines to reduce or maintain intraocular pressure ALLERGAN INC (US) 1995-05-10 EP disclosed
WO-1995010280-A1 METHODS FOR USING (2-IMIDAZOLIN-2-YLAMINO) QUINOXALINE DERIVATIVES ALLERGAN (US) 1995-04-20 WO disclosed
JP-H03153626-A REDUCTION OF MAINTENANCE OF INTRAOCULAR PRESSURE USING (2-IMIDAZOLIN-2-YLAMINO)QUINOXALINE ALLERGAN INC 1991-07-01 JP disclosed
US-5021416-A Glaucoma ALLERGAN, INC. (US) 1991-06-04 US disclosed
EP-0426390-A2 Method for using (2-imidazolin-2-ylamino) quinoxalines to reduce or maintain intraocular pressure ALLERGAN, INC. (US) 1991-05-08 EP 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 (6 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 8/4885ADRA2C 15/4885ADRA2B 9/4885
US-20150098917-A1 METHOD FOR PREVENTING OR TREATING SKIN TUMOR ADRB2, ADRA2A, ADRA2C ADRA2A 2/4885ADRA2C 3/4885ADRA2B 4/4885
US-20150313896-A1 METHOD FOR TREATING CELL PROLIFERATION DISORDERS MKI67, ADRB1, ADRA1D ADRA2A 8/4885ADRA2C 16/4885ADRA2B 9/4885
US-20150202202-A1 COMPOUNDS, FORMULATIONS, AND METHODS FOR TREATING OR PREVENTING INFLAMMATORY SKIN DISORDERS HRH4, HRH1, HRH3 ADRA2A 120/4885ADRA2C 272/4885ADRA2B 67/4885
US-20170216282-A1 Compounds, Formulations, and Methods for Treating or Preventing Inflammatory Skin Disorders HRH4, HRH1, HRH3 ADRA2A 120/4885ADRA2C 272/4885ADRA2B 67/4885
US-20160220565-A1 Compounds, Formulations, and Methods for Treating or Preventing Inflammatory Skin Disorders HRH4, HRH1, HRH3 ADRA2A 120/4885ADRA2C 272/4885ADRA2B 67/4885

“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.