SCHEMBL19282905

SCHEMBL19282905

CC(C)(C)OC(=O)c1cnc(Cl)nc1Cl

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 8/20 0.43
JUN P05412 4/20 0.43
NFKB2 Q00653 4/20 0.43
RELA Q04206 4/20 0.43
STK17B O94768 1/20 0.42
STK17A Q9UEE5 1/20 0.42
ATR Q13535 1/20 0.40
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37
ATF1 P18846 4/20 0.36
SYK P43405 1/20 0.36
XPO1 O14980 2/20 0.35
POLB P06746 1/20 0.35

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
SCHEMBL8398500 0.81 NFKB1 (0.53) NFKB1JUNNFKB2RELAKDM4E
SCHEMBL1602748 0.81 NFKB1 (0.46) NFKB1JUNNFKB2RELAATR
SCHEMBL30110408 0.81 NFKB1 (0.46) NFKB1JUNNFKB2RELAATR
SCHEMBL476310 0.77 ALDH1A1 (0.59) NFKB1ALDH1A1KDM4EATF1SYK
SCHEMBL29922173 0.77 ALDH1A1 (0.59) NFKB1ALDH1A1KDM4EATF1SYK
SCHEMBL3865834 0.77 NFKB1 (0.43) NFKB1JUNNFKB2RELAALDH1A1
SCHEMBL4277492 0.77 ATR (0.40) NFKB1JUNNFKB2RELAATR
SCHEMBL29827391 0.77 NFKB1 (0.43) NFKB1JUNNFKB2RELAALDH1A1
SCHEMBL22645507 0.75 STK17B (0.40) NFKB1JUNNFKB2RELASTK17B
SCHEMBL1971986 0.75 ATR (0.43) ATRPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024125451-A1 PIPERINDIN-ONES DERIVATIVES, PREPARATION METHODS AND MEDICINAL USES THEREOF JIANGSU HANSOH PHARMACEUTICAL GROUP CO., LTD. (CN) 2024-06-20 WO disclosed
WO-2021250531-A1 4-(4,5-DIHYDRO-1H-PYRAZOL-1-YL)PYRIMIDINE COMPOUND AS CANNABINOID RECEPTOR (CB1 RECEPTOR) ANTAGONISTS AND PHARMACEUTICAL COMPOSITION INCLUDING SAME 주식회사 종근당 2021-12-16 WO disclosed
US-20170247336-A1 SUBSTITUTED PYRIMIDINES AS INHIBITORS OF HIF PROLYL HYDROXYLASE MERCK SHARP & DOHME CORP. (US) 2017-08-31 US disclosed
US-20170247336-A1 SUBSTITUTED PYRIMIDINES AS INHIBITORS OF HIF PROLYL HYDROXYLASE MERCK SHARP & DOHME CORP. (US) 2017-08-31 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 (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-20170247336-A1 SUBSTITUTED PYRIMIDINES AS INHIBITORS OF HIF PROLYL HYDROXYLASE HIF1AN, HIF1A, EGLN2 NFKB1 1414/4885JUN 1878/4885NFKB2 1280/4885

“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.