SCHEMBL20138952

SCHEMBL20138952

COc1ccc2c(c1)c1ncnc(O)c1n2Cc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.53
MAPT P10636 3/20 0.53
PLA2G2A P14555 15/20 0.51
PLA2G1B P04054 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
TSHR P16473 1/20 0.49
MAPK1 P28482 1/20 0.49
ALDH1A1 P00352 2/20 0.47
POLB P06746 1/20 0.47
HTT P42858 1/20 0.47
KDM4E B2RXH2 1/20 0.47
HPGD P15428 1/20 0.47

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
SCHEMBL20158911 0.87 KMT2A (0.54) KMT2AMAPTPLA2G2APLA2G1BSMN1; SMN2
SCHEMBL20159027 0.77 KMT2A (0.56) KMT2AMAPTPLA2G2APLA2G1BSMN1; SMN2
SCHEMBL31218974 0.77 MAPT (0.58) KMT2AMAPTPLA2G2APLA2G1BSMN1; SMN2
SCHEMBL6821058 0.75 PLA2G2A (0.57) KMT2AMAPTPLA2G2APLA2G1BTSHR
SCHEMBL6820689 0.74 PLA2G2A (0.68) KMT2AMAPTPLA2G2APLA2G1BTSHR
SCHEMBL20138934 0.74 KMT2A (0.57) KMT2AMAPTPLA2G2APLA2G1BSMN1; SMN2
SCHEMBL20159026 0.73 POLB (0.56) KMT2AMAPTPLA2G2APLA2G1BSMN1; SMN2
SCHEMBL6920467 0.71 PLA2G2A (0.55) KMT2APLA2G2APLA2G1BTSHRMAPK1
SCHEMBL26853531 0.70 RXFP1 (0.62) KMT2AMAPTPLA2G2APLA2G1BSMN1; SMN2
SCHEMBL24200438 0.70 KDM4E (0.46) KMT2AMAPTPLA2G2ASMN1; SMN2TSHR

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 10 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
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
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
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
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 KMT2A 2389/4885MAPT 2979/4885PLA2G2A 4341/4885
US-20190276452-A1 SELECTIVE INHIBITORS OF GENTOTOXIC STERESS-INDUCED IKK/NF-KB PATHWAYS IKBKB, NFKBIA, IKBKE KMT2A 2432/4885MAPT 2845/4885PLA2G2A 4419/4885

“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.