SCHEMBL23212539

SCHEMBL23212539

Nc1cnn(CC2CCCC2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 1/20 0.46
PKM P14618 2/20 0.43
ENPP2 Q13822 2/20 0.41
PIK3CD O00329 1/20 0.41
PIK3CA P42336 1/20 0.41
PIK3CB P42338 1/20 0.41
PI4KA P42356 1/20 0.41
PIK3CG P48736 1/20 0.41
PI4KB Q9UBF8 1/20 0.41
MAPT P10636 2/20 0.40
LMNA P02545 2/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
ALDH1A1 P00352 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
LRRK2 Q5S007 1/20 0.37
KDM4E B2RXH2 1/20 0.37
KDM4A O75164 1/20 0.37

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
SCHEMBL4192158 0.98 KLKB1 (0.48) KLKB1PKMENPP2PIK3CDPIK3CA
SCHEMBL23623150 0.96 KLKB1 (0.44) KLKB1PKMENPP2PIK3CDPIK3CA
SCHEMBL3259744 0.92 PIK3CD (0.46) KLKB1PKMENPP2PIK3CDPIK3CA
Hydrochloric Acid SCHEMBL17003092 0.91 MAPT (0.45) KLKB1PKMENPP2PIK3CDPIK3CA
Cyanide SCHEMBL27964377 0.87 PIK3CD (0.43) KLKB1PKMENPP2PIK3CDPIK3CA
SCHEMBL16593759 0.84 LRRK2 (0.41) KLKB1PKMPIK3CDPIK3CAPIK3CB
SCHEMBL1703769 0.83 HDAC1 (0.47) KLKB1PKMENPP2PIK3CDPIK3CA
SCHEMBL1665196 0.82 KLKB1 (0.41) KLKB1ENPP2LMNAHDAC1HDAC2
SCHEMBL31361594 0.82 KLKB1 (0.41) KLKB1ENPP2LMNAHDAC1HDAC2
SCHEMBL31361733 0.82 KLKB1 (0.41) KLKB1ENPP2LMNAHDAC1HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119751439-A ATF6 modulators and uses thereof 阿尔托斯实验室公司 2025-04-04 CN disclosed
CN-115087656-B ATF6 modulators and uses thereof 阿尔托斯实验室公司 2024-12-13 CN disclosed
US-20230028584-A1 ATF6 MODULATORS AND USES THEREOF ALTOS LABS, INC. 2023-01-26 US disclosed
US-20230028584-A1 ATF6 MODULATORS AND USES THEREOF ALTOS LABS, INC. 2023-01-26 US disclosed
CN-115087656-A ATF6 modulators and uses thereof 普拉西斯生物技术有限责任公司 2022-09-20 CN disclosed
EP-4041728-A1 ATF6 MODULATORS AND USES THEREOF Praxis Biotech LLC (US) 2022-08-17 EP disclosed
WO-2021069721-A1 ATF6 MODULATORS AND USES THEREOF BLACK BELT TX LTD (GB) 2021-04-15 WO disclosed
WO-2021069721-A1 ATF6 MODULATORS AND USES THEREOF BLACK BELT TX LTD (GB) 2021-04-15 WO disclosed
CN-108026101-A fused pyrimidine compound or salt thereof 大鹏药品工业株式会社 2018-05-11 CN 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 (1 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-20230028584-A1 ATF6 MODULATORS AND USES THEREOF ATF4, XBP1, ATF1 KLKB1 4270/4885PKM 2540/4885ENPP2 964/4885

“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.