SCHEMBL1998927

SCHEMBL1998927

Clc1ncnc2c1ncn2C1CCCO1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PI4KA P42356 4/20 0.71
PI4K2B Q8TCG2 4/20 0.71
PI4K2A Q9BTU6 4/20 0.71
PI4KB Q9UBF8 4/20 0.71
MEN1 O00255 2/20 0.71
ALDH1A1 P00352 2/20 0.71
KMT2A Q03164 2/20 0.71
TP53 P04637 1/20 0.71
CYP2C9 P11712 1/20 0.71
NFKB1 P19838 1/20 0.71
MAPK1 P28482 1/20 0.71
HSD17B10 Q99714 1/20 0.71
APEX1 P27695 1/20 0.71
BLM P54132 1/20 0.71
ADCY1 Q08828 1/20 0.71
CYP2C19 P33261 1/20 0.66
CYP1A2 P05177 2/20 0.58
TSHR P16473 1/20 0.58
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52

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
Methane SCHEMBL10551641 0.99 PI4KA (0.69) PI4KAPI4K2BPI4K2API4KBMEN1
SCHEMBL29683060 0.96 CYP2C19 (0.68) PI4KAPI4K2BPI4K2API4KBMEN1
SCHEMBL115599 0.96 CYP2C19 (0.68) PI4KAPI4K2BPI4K2API4KBMEN1
Methane SCHEMBL10552077 0.94 CYP2C19 (0.67) PI4KAPI4K2BPI4K2API4KBMEN1
Ether SCHEMBL10547204 0.87 CYP2C19 (0.61) PI4KAPI4K2BPI4K2API4KBMEN1
SCHEMBL14908001 0.84 PI4KA (0.72) PI4KAPI4K2BPI4K2API4KBMEN1
SCHEMBL191944 0.83 PI4KA (0.71) PI4KAPI4K2BPI4K2API4KBMEN1
SCHEMBL896095 0.83 PI4KA (1.00) PI4KAPI4K2BPI4K2API4KBMEN1
SCHEMBL8712264 0.83 PI4KA (1.00) PI4KAPI4K2BPI4K2API4KBMEN1
SCHEMBL5740769 0.83 PI4KA (0.71) PI4KAPI4K2BPI4K2API4KBMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3341371-B1 ADENINE DERIVATIVES AND THEIR USE AS UV-PHOTOPROTECTIVE AGENTS UNIV PALACKEHO (CZ) 2022-06-29 EP disclosed
US-10774084-B2 Adenine derivatives and their use as UV-photoprotective agents UNIVERZITA PALACKEHO V OLOMOUCI (CZ) 2020-09-15 US disclosed
US-10174033-B2 N6-substituted adenosine derivatives and N6-substituted adenine derivatives and uses thereof INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF MEDICAL SCIENCES (CN) 2019-01-08 US disclosed
US-20180298004-A1 ADENINE DERIVATIVES AND THEIR USE AS UV-PHOTOPROTECTIVE AGENTS UNIVERZITA PALACKEHO V OLOMOUCI (CZ) 2018-10-18 US disclosed
EP-3341371-A1 ADENINE DERIVATIVES AND THEIR USE AS UV-PHOTOPROTECTIVE AGENTS Univerzita Palackého V Olomouci (CZ) 2018-07-04 EP disclosed
WO-2017036434-A1 ADENINE DERIVATIVES AND THEIR USE AS UV-PHOTOPROTECTIVE AGENTS UNIVERZITA PALACKEHO V OLOMOUCI (CZ) 2017-03-09 WO disclosed
EP-2043630-B1 6, 9-DISUBSTITUTED PURINE DERIVATIVES FOR COSMETIC USE INST OF EX BOTANY ACADEMY OF SCIENCES OF THE CZECH REPUBLIC (CZ) 2016-09-07 EP disclosed
US-20160083388-A1 NOVEL MODULATORS OF NRF2 AND USES THEREOF TRT PHARMA INC. (CA) 2016-03-24 US disclosed
US-20160083388-A1 NOVEL MODULATORS OF NRF2 AND USES THEREOF TRT PHARMA INC. (CA) 2016-03-24 US disclosed
US-9139592-B2 Modulators of Nrf2 and uses thereof TRT PHARMA INC. (CA) 2015-09-22 US disclosed
EP-2245031-A2 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) 2010-11-03 EP disclosed
US-20100234401-A1 6,9-Disubstituted Purine Derivatives and Their Use For Treating Skin SZUCOVA LUCIE 2010-09-16 US disclosed
WO-2009086457-A2 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) 2009-07-09 WO disclosed
US-20090170879-A1 6,9-Disubstituted Purine Derivatives and Their Use as Cosmetics and Cosmetic Compositions SZUCOVA LUCIE 2009-07-02 US disclosed
EP-2043630-A2 6, 9-DISUBSTITUTED PURINE DERIVATIVES AND THEIR USE FOR TREATING SKIN Institute of Experimental Botany, Academy of Sciences of the Czech Republic (CZ) 2009-04-08 EP disclosed
US-20090048203-A1 SUBSTITUTED ADENINES AND THE USES THEREOF ASTRAZENECA AB (SE) 2009-02-19 US disclosed
WO-2008008770-A2 6, 9-DISUBSTITUTED PURINE DERIVATIVES AND THEIR USE FOR TREATING SKIN INSTITUTE OF EXPERIMENTAL BOTANY, ACADEMY OF SCIENCES OF THE CZECH REPUBLIC (CZ) 2008-01-17 WO disclosed
US-20080009508-A1 6,9-Disubstituted Purine Derivatives And Their Use For Treating Skin INSTITUTE OF EXPERIMENTAL BOTANY, ACADEMY OF SCIENCES OF THE CZECH REPUBLIC (CZ) 2008-01-10 US disclosed
EP-1805196-A1 SUBSTITUTED ADENINES AND THE USE THEREOF AstraZeneca AB (SE) 2007-07-11 EP disclosed
WO-2006040558-A1 SUBSTITUTED ADENINES AND THE USE THEREOF ASTRAZENECA AB (SE) 2006-04-20 WO 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 (8 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-20180298004-A1 ADENINE DERIVATIVES AND THEIR USE AS UV-PHOTOPROTECTIVE AGENTS XPA, ERCC4, UNG PI4KA 2874/4885PI4K2B 2677/4885PI4K2A 2268/4885
US-20090048203-A1 SUBSTITUTED ADENINES AND THE USES THEREOF HPRT1, APRT, NUDT1 PI4KA 3581/4885PI4K2B 4436/4885PI4K2A 4323/4885
US-20100234401-A1 6,9-Disubstituted Purine Derivatives and Their Use For Treating Skin UNG, P2RY6, MPG PI4KA 2724/4885PI4K2B 2898/4885PI4K2A 2584/4885
US-20160083388-A1 NOVEL MODULATORS OF NRF2 AND USES THEREOF KEAP1, TXNRD1, NFE2L2 PI4KA 1826/4885PI4K2B 1290/4885PI4K2A 1526/4885
US-20090170879-A1 6,9-Disubstituted Purine Derivatives and Their Use as Cosmetics and Cosmetic Compositions P2RY6, UMPS, PNP PI4KA 2974/4885PI4K2B 2994/4885PI4K2A 2438/4885
US-10174033-B2 N6-substituted adenosine derivatives and N6-substituted adenine derivatives and uses thereof ADORA2A, ADORA3, ADORA1 PI4KA 847/4885PI4K2B 1111/4885PI4K2A 647/4885
US-20080009508-A1 6,9-Disubstituted Purine Derivatives And Their Use For Treating Skin UNG, P2RY6, MPG PI4KA 2724/4885PI4K2B 2898/4885PI4K2A 2584/4885
US-10774084-B2 Adenine derivatives and their use as UV-photoprotective agents XPA, ERCC4, UNG PI4KA 2799/4885PI4K2B 2626/4885PI4K2A 2182/4885

“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.