SCHEMBL20139079

SCHEMBL20139079

COc1ccc2[nH]c3c(c(C)nn3C)c2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.51
ALDH1A1 P00352 5/20 0.51
MAPT P10636 4/20 0.51
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
HSD17B10 Q99714 2/20 0.51
GFER P55789 2/20 0.51
TSHR P16473 1/20 0.51
DYRK1A Q13627 2/20 0.50
HPGD P15428 3/20 0.46
RECQL P46063 3/20 0.45
POLB P06746 2/20 0.45
TLR3 O15455 1/20 0.45
NR3C1 P04150 1/20 0.45
KIT P10721 1/20 0.45
PKM P14618 1/20 0.45
RAB9A P51151 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
PDGFRB P09619 1/20 0.45
ACHE P22303 2/20 0.44

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
SCHEMBL1720009 0.82 KDM4E (0.47) KDM4EALDH1A1MAPTHSD17B10DYRK1A
SCHEMBL20139072 0.71 DYRK1A (0.67) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL13202490 0.70 ADORA2A (0.55) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL29391519 0.70 ALDH1A1 (1.00) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL2597652 0.70 ALDH1A1 (1.00) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL7218007 0.70 AURKA (0.65) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL20551632 0.69 POLB (0.37) MAPTMEN1KMT2APOLBNR3C1
SCHEMBL20550815 0.69 CRHR1 (0.39) POLBNR3C1
SCHEMBL6342518 0.69 ABCG2 (0.48) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL1429389 0.69 PIK3CA (0.55) KDM4EALDH1A1MAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3538529-B1 SELECTIVE INHIBITORS OF GENOTOXIC STRESS-INDUCED IKK/NF-KB PATHWAYS MAX DELBRUECK CENTRUM FUER MOLEKULARE MEDIZIN HELMHOLTZ GEMEINSCHAFT (DE) 2022-01-19 EP disclosed
US-11028084-B2 Selective inhibitors of gentotoxic steress-induced IKK/NF-κB pathways MAX-DELBRÜCK-CENTRUM FÜR MOLEKULARE MEDIZIN IN DER HELMHOLTZ-GEMEINSCHAFT (DE) 2021-06-08 US disclosed
EP-3538529-A1 SELECTIVE INHIBITORS OF GENOTOXIC STRESS-INDUCED IKK/NF-kB PATHWAYS Max-Delbrück-Centrum für Molekulare Medizin in der Helmholtz-Gemeinschaft (DE) 2019-09-18 EP disclosed
US-20190276452-A1 SELECTIVE INHIBITORS OF GENTOTOXIC STERESS-INDUCED IKK/NF-KB PATHWAYS FORSCHUNGSVERBUND BERLIN E.V. (DE) 2019-09-12 US disclosed
CN-109963850-A The selective depressant of genotoxicity stress-induced IKK/NF- kB pathway 马克思-德布鲁克-分子医学中心亥姆霍兹联合会 2019-07-02 CN disclosed
WO-2018087389-A1 SELECTIVE INHIBITORS OF GENOTOXIC STRESS-INDUCED IKK/NF-kB PATHWAYS MAX-DELBRÜCK-CENTRUM FÜR MOLEKULARE MEDIZIN IN DER HELMHOLTZ-GEMEINSCHAFT (DE) 2018-05-17 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 (2 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-11028084-B2 Selective inhibitors of gentotoxic steress-induced IKK/NF-κB pathways IKBKB, NFKBIA, IKBKE KDM4E 2954/4885ALDH1A1 3837/4885MAPT 2979/4885
US-20190276452-A1 SELECTIVE INHIBITORS OF GENTOTOXIC STERESS-INDUCED IKK/NF-KB PATHWAYS IKBKB, NFKBIA, IKBKE KDM4E 2948/4885ALDH1A1 3972/4885MAPT 2845/4885

“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.