SCHEMBL8996628

SCHEMBL8996628

COc1c(Cl)cc(Cl)cc1C(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.39
PTGS2 P35354 3/20 0.39
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 3/20 0.38
TSHR P16473 2/20 0.38
HPGD P15428 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
HSD17B10 Q99714 1/20 0.38
TDP1 Q9NUW8 2/20 0.38
SMN1; SMN2 Q16637 3/20 0.37
CYP1A2 P05177 2/20 0.37
CYP2D6 P10635 2/20 0.37
MEN1 O00255 2/20 0.37
CYP2C9 P11712 1/20 0.37
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
MAPT P10636 3/20 0.36
CYP2C19 P33261 1/20 0.36
CA9 Q16790 1/20 0.35
PTGS1 P23219 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
Phosphine SCHEMBL28191605 0.87 PTGS2 (0.44) PTGS2ALDH1A1KDM4ETSHRHPGD
SCHEMBL12401834 0.82 MAP3K14 (0.41) PTGS2ALDH1A1TSHRHPGDL3MBTL1
SCHEMBL12401805 0.82 LMNA (0.41) PTGS2ALDH1A1KDM4ETSHRHPGD
SCHEMBL6673577 0.82 PTGS2 (0.41) PTGS2ALDH1A1TSHRHPGDTDP1
SCHEMBL25950818 0.80 PTGS2 (0.40) KMT2APTGS2ALDH1A1KDM4ETSHR
SCHEMBL5083897 0.80 ERBB2 (0.45) PTGS2ALDH1A1TSHRHPGDHSD17B10
SCHEMBL54507 0.79 KMT2A (0.47) KMT2AALDH1A1KDM4ETSHRHPGD
SCHEMBL24008338 0.77 DRD2 (0.48) PTGS2ALDH1A1KDM4ETSHRTDP1
SCHEMBL2125454 0.77 PTGS2 (0.35) PTGS2ALDH1A1KDM4ETSHRHPGD
SCHEMBL25950827 0.77 ALDH1A1 (0.37) KMT2APTGS2ALDH1A1KDM4ETSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230271939-A1 4-ETHYNYLPYRIDINE DERIVATIVES USEFUL AS GCN2 INHIBITORS IP2IPO INNOVATIONS LIMITED (GB) 2023-08-31 US disclosed
US-20230250082-A1 4-ETHYNYLPYRIDINE DERIVATIVES USEFUL AS GCN2 INHIBITORS IP2IPO INNOVATIONS LIMITED (GB) 2023-08-10 US disclosed
US-9139536-B2 Anti-infective agents and uses thereof ABBVIE INC. (US) 2015-09-22 US disclosed
US-9095590-B2 Anti-infective agents and uses thereof ABBVIE INC. (US) 2015-08-04 US disclosed
US-8986740-B2 Anti-infective agents and uses thereof ABBVIE INC. (US) 2015-03-24 US disclosed
US-20140294766-A1 Anti-Infective Agents and Uses Thereof ABBVIE INC (US) 2014-10-02 US disclosed
US-20140235638-A1 Anti-Infective Agents and Uses Thereof ABBVIE INC. (US) 2014-08-21 US disclosed
EP-2222646-B1 URACIL OR THYMINE DERIVATIVE FOR TREATING HEPATITIS C ABBVIE BAHAMAS LTD (BS) 2014-01-22 EP disclosed
EP-2639226-A1 Anti-infective pyrimidines and uses thereof ABBOTT LABORATORIES (US) 2013-09-18 EP disclosed
US-8501238-B2 Anti-infective agents and uses thereof ABBVIE INC. (US) 2013-08-06 US disclosed
EP-2203430-B1 N-PHENYL-DIOXO-HYDROPYRIMIDINES USEFUL AS HEPATITIS C VIRUS (HCV) INHIBITORS ABBOTT LAB (US) 2011-06-15 EP disclosed
US-20110070193-A1 Anti-Infective Agents and Uses Thereof ABBOTT LABORATORIES (US) 2011-03-24 US disclosed
US-20110070193-A1 Anti-Infective Agents and Uses Thereof ABBOTT LABORATORIES (US) 2011-03-24 US disclosed
US-20090186912-A1 ANTI-INFECTIVE AGENTS AND USES THEREOF ABBOTT LABORATORIES (US) 2009-07-23 US disclosed
US-20090186912-A1 ANTI-INFECTIVE AGENTS AND USES THEREOF ABBOTT LABORATORIES (US) 2009-07-23 US disclosed
US-20090176784-A1 ANTI-INFECTIVE AGENTS AND USES THEREOF ABBOTT LABORATORIES (US) 2009-07-09 US disclosed
US-20090176784-A1 ANTI-INFECTIVE AGENTS AND USES THEREOF ABBOTT LABORATORIES (US) 2009-07-09 US disclosed
WO-2009039135-A1 N-PHENYL-DIOXO-HYDROPYRIMIDINES USEFUL AS HEPATITIS C VIRUS (HCV) INHIBITORS ABBOTT LABORATORIES (US) 2009-03-26 WO disclosed
WO-2009039134-A1 ANTI-INFECTIVE PYRIMIDINES AND USES THEREOF ABBOTT LABORATORIES (US) 2009-03-26 WO disclosed
WO-2009039127-A1 URACIL OR THYMINE DERIVATIVE FOR TREATING HEPATITIS C ABBOTT LABORATORIES (US) 2009-03-26 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 (7 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-20110070193-A1 Anti-Infective Agents and Uses Thereof MPO, SERPINB1, ELANE KMT2A 4704/4885PTGS2 1919/4885ALDH1A1 2117/4885
US-20230271939-A1 4-ETHYNYLPYRIDINE DERIVATIVES USEFUL AS GCN2 INHIBITORS EIF2AK4, GCN1, EIF5B KMT2A 3150/4885PTGS2 196/4885ALDH1A1 2504/4885
US-20230250082-A1 4-ETHYNYLPYRIDINE DERIVATIVES USEFUL AS GCN2 INHIBITORS EIF2AK4, GCN1, EIF5B KMT2A 3150/4885PTGS2 196/4885ALDH1A1 2504/4885
US-20090176784-A1 ANTI-INFECTIVE AGENTS AND USES THEREOF MPO, SERPINB1, ELANE KMT2A 4704/4885PTGS2 1919/4885ALDH1A1 2117/4885
US-20140294766-A1 Anti-Infective Agents and Uses Thereof MPO, SERPINB1, ELANE KMT2A 4704/4885PTGS2 1919/4885ALDH1A1 2117/4885
US-20140235638-A1 Anti-Infective Agents and Uses Thereof MPO, ELANE, LPO KMT2A 4715/4885PTGS2 2301/4885ALDH1A1 2039/4885
US-20090186912-A1 ANTI-INFECTIVE AGENTS AND USES THEREOF MPO, SERPINB1, ELANE KMT2A 4704/4885PTGS2 1919/4885ALDH1A1 2117/4885

“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.