SCHEMBL772937

SCHEMBL772937

[NH]Cc1cc(O)ccc1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 6/20 0.50
TYR P14679 2/20 0.46
LCK P06239 2/20 0.42
ALDH1A1 P00352 4/20 0.40
MAPT P10636 4/20 0.40
RGS12 O14924 1/20 0.40
CAMKK2 Q96RR4 1/20 0.40
NOX4 Q9NPH5 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
GABRA1 P14867 1/20 0.39
GABRB2 P47870 1/20 0.39
LMNA P02545 4/20 0.39
HTT P42858 4/20 0.39
CYP3A4 P08684 3/20 0.39
ALOX15 P16050 3/20 0.39
GAA P10253 2/20 0.39
CYP2C9 P11712 2/20 0.39
HPGD P15428 2/20 0.39
ALOX12 P18054 2/20 0.39
HIF1A Q16665 2/20 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
SCHEMBL785775 0.80 TYR (0.65) TYRMAPTTDP1HTTCYP3A4
SCHEMBL31244463 0.79 MAPT (0.58) EGFRTYRLCKALDH1A1MAPT
SCHEMBL50932 0.79 MAPT (0.58) EGFRTYRLCKALDH1A1MAPT
SCHEMBL10012940 0.79 TYR (0.64) EGFRTYRLCKALDH1A1CYP3A4
Hydrochloric Acid SCHEMBL3562527 0.78 EGFR (0.48) EGFRTYRLCKALDH1A1MAPT
Gentisyl Alcohol SCHEMBL829492 0.77 KLF10 (0.54) EGFRTYRLCKALDH1A1MAPT
SCHEMBL785816 0.76 GABRA1 (0.36) EGFRMAPTGABRA1GABRB2LMNA
SCHEMBL775196 0.76 AMY1A (0.59) ALDH1A1MAPTTDP1LMNAHTT
SCHEMBL620852 0.76 CA3 (0.44) TYRALDH1A1MAPTTDP1GABRA1
SCHEMBL622778 0.76 HPGD (0.68) ALDH1A1MAPTTDP1LMNAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2430036-B1 SUBSTITUTED 6-(BENZYLAMINO) PURINE RIBOSIDE DERIVATIVES, USE THEREOF AND COMPOSITIONS CONTAINING THESE DERIVATIVES Univerzita Palackého v Olomouci (CZ) 2014-07-30 EP disclosed
US-20140066394-A1 Substituted 6-(Benzylamino) Purine Riboside Derivatives, Use Thereof and Compositions Containing These Derivatives BIOPATTERNS, S.R.O (CZ) 2014-03-06 US disclosed
EP-2245031-B1 6,9-DISUBSTITUTED PURINE DERIVATIVES AND THEIR USE AS COSMETICS AND COSMETIC COMPOSITIONS INST OF EX BOTANY ACADEMY OF SCIENCES OF THE CZECH REPUBLIC (CZ) 2014-02-26 EP disclosed
US-8575182-B2 6, 9-disubstituted purine derivatives and their use as cosmetics and cosmetic compositions Institute of Experimental Botany, Academy of Sciences of the Czeck Republic (CZ) 2013-11-05 US disclosed
US-8492391-B2 Substituted 6-(2-hydroxybenzylamino)purine derivatives, their use as medicaments and compositions containing these derivatives UNIVERZITA PALACKEHO V OLOMOUCI (CZ) 2013-07-23 US disclosed
US-20120070512-A1 Substituted 6-(2-hydroxybenzylamino)purine Derivatives, Their Use as Medicaments and Compositions Containing These Derivatives BIOPATTERNS, S.R.O (CZ) 2012-03-22 US disclosed
US-20120071433-A1 Substituted 6-(Benzylamino) Purine Riboside Derivatives, Use Thereof and Compositions Containing These Derivatives UNIVERZITA PALACKEHO V OLOMOUCI (CZ) 2012-03-22 US disclosed
US-20110230503-A1 6, 9-Disubstituted Purine Derivatives and Their Use as Cosmetics and Cosmetic Compositions SZUCOVA LUCIE 2011-09-22 US disclosed
US-7960397-B2 6,9-disubstituted purine derivatives and their use as cosmetics and cosmetic compositions INSTITUTE OF EXPERIMENTAL BOTANY, ACADEMY OF SCIENCES OF THE CZECH REPUBLIC (CZ) 2011-06-14 US disclosed
US-20090170879-A1 6,9-Disubstituted Purine Derivatives and Their Use as Cosmetics and Cosmetic Compositions SZUCOVA LUCIE 2009-07-02 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 (5 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-20140066394-A1 Substituted 6-(Benzylamino) Purine Riboside Derivatives, Use Thereof and Compositions Containing These Derivatives PNP, NUDT1, TYMP EGFR 4655/4885TYR 3948/4885LCK 4507/4885
US-20120071433-A1 Substituted 6-(Benzylamino) Purine Riboside Derivatives, Use Thereof and Compositions Containing These Derivatives CD38, NUDT1, PNP EGFR 4693/4885TYR 3972/4885LCK 4280/4885
US-20120070512-A1 Substituted 6-(2-hydroxybenzylamino)purine Derivatives, Their Use as Medicaments and Compositions Containing These Derivatives CDK6, CCNI, CDK2 EGFR 1915/4885TYR 3233/4885LCK 824/4885
US-20090170879-A1 6,9-Disubstituted Purine Derivatives and Their Use as Cosmetics and Cosmetic Compositions P2RY6, UMPS, PNP EGFR 3448/4885TYR 88/4885LCK 1267/4885
US-20110230503-A1 6, 9-Disubstituted Purine Derivatives and Their Use as Cosmetics and Cosmetic Compositions P2RY6, UMPS, PNP EGFR 3448/4885TYR 88/4885LCK 1267/4885

“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.