SCHEMBL20138825

SCHEMBL20138825

Cc1nn(C(=O)c2ccccc2)c2c1c1cc(Br)ccc1n2C(=O)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ELANE P08246 10/20 0.54
PLAU P00749 1/20 0.45
MAPK8 P45983 1/20 0.45
MEN1 O00255 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41
MAP3K14 Q99558 1/20 0.40
PRNP P04156 1/20 0.39
PPARG P37231 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
NR2E3 Q9Y5X4 1/20 0.39
NCOR2 Q9Y618 1/20 0.39
DYRK1A Q13627 1/20 0.39
MGAM O43451 1/20 0.38
AMY1A P0DUB6 1/20 0.38
GAA P10253 1/20 0.38
SI P14410 1/20 0.38
MGAM2 Q2M2H8 1/20 0.38

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
SCHEMBL24200445 0.88 MAPK8 (0.53) ELANEPLAUMAPK8PRNPPPARG
SCHEMBL20139087 0.87 ELANE (0.53) ELANEMAPK8
SCHEMBL20135899 0.85 ELANE (0.51) ELANEPLAUMEN1MAPTKMT2A
SCHEMBL20158841 0.84 ELANE (0.56) ELANEMEN1MAPTKMT2APPARG
SCHEMBL20158839 0.84 ELANE (0.42) ELANEPLAUMAPK8MEN1KMT2A
SCHEMBL20158832 0.76 MAPK8 (0.49) ELANEMAPK8
SCHEMBL24200422 0.75 MAPK8 (0.51) ELANEMAPK8PRNPPPARGRXFP1
SCHEMBL12034344 0.73 P2RX4 (0.61) ELANEMEN1MAPTKMT2A
SCHEMBL20159077 0.73 LMNA (0.55) ELANEMEN1MAPTKMT2APPARG
SCHEMBL20147125 0.73 P2RX4 (0.50) ELANEPLAUMEN1MAPTKMT2A

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 9 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
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 ELANE 3681/4885PLAU 4535/4885MAPK8 377/4885
US-20190276452-A1 SELECTIVE INHIBITORS OF GENTOTOXIC STERESS-INDUCED IKK/NF-KB PATHWAYS IKBKB, NFKBIA, IKBKE ELANE 3684/4885PLAU 4526/4885MAPK8 282/4885

“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.