SCHEMBL20139072

SCHEMBL20139072

COc1ccc2[nH]c3[nH]nc(C)c3c2c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 3/20 0.67
KDM4E B2RXH2 4/20 0.54
MEN1 O00255 4/20 0.54
KMT2A Q03164 4/20 0.54
MAPT P10636 3/20 0.54
ALDH1A1 P00352 3/20 0.54
HSD17B10 Q99714 2/20 0.54
TSHR P16473 1/20 0.54
GFER P55789 1/20 0.54
RECQL P46063 3/20 0.50
ACHE P22303 1/20 0.50
TLR3 O15455 1/20 0.50
NR3C1 P04150 1/20 0.50
POLB P06746 1/20 0.50
KIT P10721 1/20 0.50
PKM P14618 1/20 0.50
RAB9A P51151 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
GSK3A P49840 2/20 0.49
GSK3B P49841 2/20 0.49

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
SCHEMBL9006234 0.89 DYRK1A (0.57) DYRK1AKDM4EMEN1KMT2AMAPT
SCHEMBL1043754 0.77 DYRK1A (0.56) DYRK1AKDM4EMEN1KMT2AMAPT
SCHEMBL20147179 0.74 CYP1A2 (0.49) KDM4EMEN1KMT2AMAPTALDH1A1
SCHEMBL29391519 0.72 ALDH1A1 (1.00) KDM4EMEN1KMT2AMAPTALDH1A1
SCHEMBL2597652 0.72 ALDH1A1 (1.00) KDM4EMEN1KMT2AMAPTALDH1A1
SCHEMBL20139079 0.71 KDM4E (0.51) DYRK1AKDM4EMEN1KMT2AMAPT
SCHEMBL29919843 0.70 KDM4E (0.50) DYRK1AKDM4EMEN1KMT2AMAPT
SCHEMBL1144940 0.70 KDM4E (0.50) DYRK1AKDM4EMEN1KMT2AMAPT
SCHEMBL8821041 0.70 MAPT (0.59) DYRK1AKDM4EMEN1KMT2AMAPT
SCHEMBL30143971 0.70 MAPT (0.59) DYRK1AKDM4EMEN1KMT2AMAPT

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 DYRK1A 3502/4885KDM4E 2954/4885MEN1 3320/4885
US-20190276452-A1 SELECTIVE INHIBITORS OF GENTOTOXIC STERESS-INDUCED IKK/NF-KB PATHWAYS IKBKB, NFKBIA, IKBKE DYRK1A 3349/4885KDM4E 2948/4885MEN1 3369/4885

“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.