SCHEMBL6282033

SCHEMBL6282033

Oc1ncnc2c1cnn2-c1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.67
KDM4E B2RXH2 8/20 0.67
TSHR P16473 6/20 0.67
HSD17B10 Q99714 6/20 0.67
MEN1 O00255 2/20 0.67
KMT2A Q03164 2/20 0.67
EGFR P00533 1/20 0.67
CYP1A2 P05177 1/20 0.67
CYP2C19 P33261 1/20 0.67
PI4KA P42356 1/20 0.67
PI4K2B Q8TCG2 1/20 0.67
PI4K2A Q9BTU6 1/20 0.67
PI4KB Q9UBF8 1/20 0.67
MAPT P10636 8/20 0.61
LMNA P02545 5/20 0.61
HTT P42858 3/20 0.61
GAA P10253 1/20 0.61
NPC1 O15118 12/20 0.58
RAB9A P51151 12/20 0.58
MAPK1 P28482 3/20 0.58

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
SCHEMBL31337054 1.00 ALDH1A1 (0.67) ALDH1A1KDM4ETSHRHSD17B10MEN1
SCHEMBL6071371 0.84 GSK3B (0.54) ALDH1A1KDM4ETSHRHSD17B10MEN1
SCHEMBL6204755 0.82 GSK3B (0.54) ALDH1A1KDM4ETSHRHSD17B10MEN1
SCHEMBL6207703 0.82 SLC2A1 (0.58) ALDH1A1KDM4ETSHRHSD17B10MEN1
SCHEMBL6205850 0.82 TP53 (0.62) ALDH1A1KDM4ETSHRHSD17B10MEN1
SCHEMBL6205500 0.80 XDH (0.71) ALDH1A1KDM4EHSD17B10MEN1KMT2A
SCHEMBL24393325 0.80 ALDH1A1 (0.67) ALDH1A1KDM4ETSHRHSD17B10MEN1
SCHEMBL2278510 0.80 ALDH1A1 (1.00) ALDH1A1KDM4ETSHRHSD17B10MEN1
SCHEMBL29589484 0.80 ALDH1A1 (1.00) ALDH1A1KDM4ETSHRHSD17B10MEN1
SCHEMBL2077026 0.80 ALDH1A1 (0.67) ALDH1A1KDM4ETSHRHSD17B10MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230121698-A1 ECTONUCLEOTIDE PYROPHOSPHATASE/PHOSPHODIESTERASE 1 (ENPP1) MODULATORS AND USES THEREOF Sanford Burnham Prebys Medical Discovery Institute 2023-04-20 US disclosed
EP-4081528-A1 ECTONUCLEOTIDE PYROPHOSPHATASE/PHOSPHODIESTERASE 1 (ENPP1) MODULATORS AND USES THEREOF Sanford Burnham Prebys Medical Discovery Institute (US) 2022-11-02 EP disclosed
CN-115151550-A Ectonucleotide pyrophosphatase/phosphodiesterase 1 (ENPP 1) modulators and uses thereof 桑福德·伯纳姆·普雷比医学发现研究所 2022-10-04 CN disclosed
WO-2021133915-A1 ECTONUCLEOTIDE PYROPHOSPHATASE/PHOSPHODIESTERASE 1 (ENPP1) MODULATORS AND USES THEREOF Sanford Burnham Prebys Medical Discovery Institute (US) 2021-07-01 WO disclosed
WO-2021133915-A1 ECTONUCLEOTIDE PYROPHOSPHATASE/PHOSPHODIESTERASE 1 (ENPP1) MODULATORS AND USES THEREOF Sanford Burnham Prebys Medical Discovery Institute (US) 2021-07-01 WO disclosed
US-8349847-B2 Pyrazolo [3,4-D] pyrimidine derivatives as anti-cancer agents KONAKANCHI DURGA PRASAD (IN) 2013-01-08 US disclosed
US-8349847-B2 Pyrazolo [3,4-D] pyrimidine derivatives as anti-cancer agents KONAKANCHI DURGA PRASAD (IN) 2013-01-08 US disclosed
EP-1507780-B1 PYRAZOLO-PYRIMIDINE ANILINE COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2012-08-22 EP disclosed
US-20110212961-A1 Pyrazole Derivatives as Kinase Inhibitors BURNHAM INSTITUTE FOR MEDICAL RESEARCH 2011-09-01 US disclosed
US-7951832-B2 Pyrazole derivatives as kinase inhibitors BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2011-05-31 US disclosed
US-20100298351-A1 NOVEL PYRAZOLO [3, 4 -D] PYRIMIDINE DERIVATIVES AS ANTI-CANCER AGENTS NATCO PHARMA LIMITED (IN) 2010-11-25 US disclosed
US-20100298351-A1 NOVEL PYRAZOLO [3, 4 -D] PYRIMIDINE DERIVATIVES AS ANTI-CANCER AGENTS NATCO PHARMA LIMITED (IN) 2010-11-25 US disclosed
US-20090124621-A1 PYRAZOLE DERIVATIVES AS KINASE INHIBITORS BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2009-05-14 US disclosed
US-6962915-B2 Pyrazolo-pyrimidine aniline compounds useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2005-11-08 US disclosed
US-6815444-B2 Anti-enterovirus compounds NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2004-11-09 US disclosed
US-20040204400-A1 ANTI-ENTEROVIRUS COMPOUNDS NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2004-10-14 US disclosed
US-20040023992-A1 Pyrazolo-pyrimidine aniline compounds useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2004-02-05 US disclosed
US-4182878-A ANTICARCINOGENIC THE LION DENTRIFICE CO., LTD. (JP) 1980-01-08 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 (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-20230121698-A1 ECTONUCLEOTIDE PYROPHOSPHATASE/PHOSPHODIESTERASE 1 (ENPP1) MODULATORS AND USES THEREOF ENPP1, ENPP3, PPA1 ALDH1A1 2462/4885KDM4E 3548/4885TSHR 2931/4885
US-20090124621-A1 PYRAZOLE DERIVATIVES AS KINASE INHIBITORS BRAF, MAP3K1, MAP3K3 ALDH1A1 1648/4885KDM4E 784/4885TSHR 2042/4885
US-20040204400-A1 ANTI-ENTEROVIRUS COMPOUNDS NR2E1, NR4A1, NR0B1 ALDH1A1 4559/4885KDM4E 3320/4885TSHR 521/4885
US-20040023992-A1 Pyrazolo-pyrimidine aniline compounds useful as kinase inhibitors MAP4K2, MAP3K19, BRAF ALDH1A1 1321/4885KDM4E 1430/4885TSHR 2343/4885
US-20100298351-A1 NOVEL PYRAZOLO [3, 4 -D] PYRIMIDINE DERIVATIVES AS ANTI-CANCER AGENTS DPYD, TYMP, TYMS ALDH1A1 309/4885KDM4E 1866/4885TSHR 4277/4885
US-20110212961-A1 Pyrazole Derivatives as Kinase Inhibitors BRAF, MAP3K1, MAP3K3 ALDH1A1 1648/4885KDM4E 784/4885TSHR 2042/4885

“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.