SCHEMBL1022600

SCHEMBL1022600

CNS(=O)(=O)N1CCNCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.46
MAPT P10636 2/20 0.37
ALDH1A1 P00352 3/20 0.37
KMT2A Q03164 3/20 0.35
USP2 O75604 1/20 0.34
PKM P14618 1/20 0.33
TP53 P04637 2/20 0.33
CYP1A2 P05177 2/20 0.33
CYP3A4 P08684 2/20 0.33
CYP2D6 P10635 2/20 0.33
NFKB1 P19838 2/20 0.33
MAPK1 P28482 2/20 0.33
MYLK Q15746 2/20 0.33
MEN1 O00255 1/20 0.33
CYP2C9 P11712 1/20 0.33
GMNN O75496 2/20 0.32
LMNA P02545 2/20 0.32
POLB P06746 1/20 0.32
TSHR P16473 1/20 0.32
CYP2C19 P33261 1/20 0.32

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
SCHEMBL12765346 0.82
SCHEMBL12765348 0.77
SCHEMBL5586144 0.77 FKBP1A (0.44) KDM4EALDH1A1KMT2AUSP2MAPK1
SCHEMBL2281523 0.76 KDM4E (0.46) KDM4EMAPTALDH1A1KMT2AUSP2
SCHEMBL25541434 0.76 KDM4E (0.42) KDM4EMAPTALDH1A1KMT2AUSP2
SCHEMBL3986529 0.76 KDM4E (0.47) KDM4EMAPTALDH1A1KMT2AUSP2
SCHEMBL6848706 0.76 KDM4E (0.42) KDM4EMAPTALDH1A1KMT2AUSP2
SCHEMBL5181697 0.75 CA1 (0.48) KDM4EALDH1A1KMT2AUSP2POLB
Hydrochloric Acid SCHEMBL31488644 0.74 KDM4E (0.41) KDM4EMAPTALDH1A1KMT2AUSP2
SCHEMBL8212032 0.73 SMN1; SMN2 (0.41) MAPTKMT2AUSP2MEN1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022178544-A1 NOVEL HETEROCYCLIC COMPOUNDS AND RELATED METHODS OF MANUFACTURE AND USE IN HDAC INHIBITION KLOTHO THERAPEUTICS, INC. (US) 2022-08-25 WO claimed
CN-101065375-A Compounds, compositions comprising the compounds, their preparation and their use ASTRAZENECA AB (SE) 2007-10-31 CN claimed
EP-4219449-A2 SUBSTITUTED INDOLE DERIVATIVES AND METHODS OF PREPARATION THEREOF Kura Oncology, Inc. (US) 2023-08-02 EP disclosed
WO-2022178544-A1 NOVEL HETEROCYCLIC COMPOUNDS AND RELATED METHODS OF MANUFACTURE AND USE IN HDAC INHIBITION KLOTHO THERAPEUTICS, INC. (US) 2022-08-25 WO disclosed
US-20220125787-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH APJ RECEPTOR ACTIVITY ANNAPURNA BIO, INC. 2022-04-28 US disclosed
US-10842791-B2 Small molecule inhibitors of EGFR and PI3K THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2020-11-24 US disclosed
US-20190167686-A1 SMALL MOLECULE INHIBITORS OF EGFR AND PI3K THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2019-06-06 US disclosed
US-10206924-B2 Small molecule inhibitors of EGFR and PI3K THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2019-02-19 US disclosed
CN-107709322-A Tricyclic compound as anticancer 百时美施贵宝公司 2018-02-16 CN disclosed
US-20170360788-A1 SMALL MOLECULE INHIBITORS OF EGFR AND PI3K THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2017-12-21 US disclosed
WO-2017161028-A1 SUBSTITUTED INHIBITORS OF MENIN-MLL AND METHODS OF USE KURA ONCOLOGY, INC. (US) 2017-09-21 WO disclosed
CN-1192018-C Anti-inflammatory and immunosuppressive cell adhesion inhibiting compounds ABBOTT LAB (US) 2005-03-09 CN disclosed
EP-1481968-A2 Cell adhesion-inhibiting anti-inflammatory and immune-suppressive compounds Abbott Laboratories (US) 2004-12-01 EP disclosed
US-20040116518-A1 Cell adhesion-inhibiting antiinflammatory and immune-suppressive compounds ABBOTT LABORATORIES 2004-06-17 US disclosed
CN-1353691-A Anti-inflammatory and immunosuppressive cell adhesion inhibiting compounds ABBOTT LAB (US) 2002-06-12 CN disclosed
CN-1350520-A Anti-inflammatory and immunosuppressive cell adhesion inhibiting compounds ABBOTT LAB (US) 2002-05-22 CN disclosed
EP-1165505-A1 CELL ADHESION-INHIBITING ANTIINFLAMMATORY AND IMMUNE-SUPPRESSIVE COMPOUNDS ABBOTT LABORATORIES (US) 2002-01-02 EP disclosed
EP-1140814-A2 CELL ADHESION-INHIBITING ANTIINFLAMMATORY AND IMMUNE-SUPPRESSIVE COMPOUNDS ABBOTT LABORATORIES (US) 2001-10-10 EP disclosed
WO-2000059880-A1 CELL ADHESION-INHIBITING ANTIINFLAMMATORY AND IMMUNE-SUPPRESSIVE COMPOUNDS ABBOTT LABORATORIES (US) 2000-10-12 WO disclosed
WO-2000039081-A2 CELL ADHESION-INHIBITING ANTIINFLAMMATORY AND IMMUNE-SUPPRESSIVE COMPOUNDS ABBOTT LABORATORIES (US) 2000-07-06 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 (5 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-10206924-B2 Small molecule inhibitors of EGFR and PI3K EGFR, ERBB2, ERBB3 KDM4E 2937/4885MAPT 3279/4885ALDH1A1 4653/4885
US-20170360788-A1 SMALL MOLECULE INHIBITORS OF EGFR AND PI3K EGFR, ERBB2, ERBB3 KDM4E 2937/4885MAPT 3279/4885ALDH1A1 4653/4885
US-10842791-B2 Small molecule inhibitors of EGFR and PI3K EGFR, ERBB2, ERBB3 KDM4E 2937/4885MAPT 3279/4885ALDH1A1 4653/4885
US-20190167686-A1 SMALL MOLECULE INHIBITORS OF EGFR AND PI3K EGFR, ERBB2, ERBB3 KDM4E 2937/4885MAPT 3279/4885ALDH1A1 4653/4885
US-20220125787-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH APJ RECEPTOR ACTIVITY APLNR, AGTR1, AGTR2 KDM4E 3721/4885MAPT 3893/4885ALDH1A1 2722/4885

“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.