SCHEMBL18113019

SCHEMBL18113019

Nc1ncc(-c2ccc([N+](=O)[O-])cc2F)cc1-c1ccc2c(c1)CCNC2=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.52
PARP10 Q53GL7 5/20 0.46
PARP11 Q9NR21 5/20 0.46
GRM5 P41594 1/20 0.39
MAPKAPK2 P49137 5/20 0.39
FEN1 P39748 2/20 0.39
PRF1 P14222 1/20 0.39
ALOX5AP P20292 1/20 0.38
MKNK1 Q9BUB5 1/20 0.38
GSK3B P49841 1/20 0.38
CCNT1 O60563 1/20 0.37
CDK4 P11802 1/20 0.37
CCNA2 P20248 1/20 0.37
CCND1 P24385 1/20 0.37
CDK2 P24941 1/20 0.37
CCND3 P30281 1/20 0.37
CDK7 P50613 1/20 0.37
CDK9 P50750 1/20 0.37
CCNH P51946 1/20 0.37
MNAT1 P51948 1/20 0.37

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
SCHEMBL18112958 0.93 MAPK1 (0.51) MAPK1PARP10PARP11GRM5MAPKAPK2
SCHEMBL18112926 0.91 MAPK1 (0.50) MAPK1PARP10PARP11GRM5MAPKAPK2
SCHEMBL18112898 0.88 MAPK1 (0.51) MAPK1PARP10PARP11MAPKAPK2MKNK1
SCHEMBL18123072 0.88 MAPK1 (0.51) MAPK1PARP10PARP11GRM5MAPKAPK2
SCHEMBL20091533 0.86 MAPK1 (0.59) MAPK1PARP10PARP11GRM5MAPKAPK2
SCHEMBL18112941 0.86 MAPK1 (0.51) MAPK1PARP10PARP11GRM5MAPKAPK2
SCHEMBL18112955 0.85 MAPK1 (0.52) MAPK1PARP10PARP11MAPKAPK2GSK3B
SCHEMBL18123144 0.85 MAPK1 (0.51) MAPK1PARP10PARP11GRM5MAPKAPK2
SCHEMBL18112964 0.85 MAPK1 (0.54) MAPK1PARP10PARP11GRM5MAPKAPK2
SCHEMBL25060612 0.84 MAPK1 (0.55) MAPK1PARP10PARP11GRM5MAPKAPK2

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
WO-2016161145-A1 STK4 INHIBITORS FOR TREATMENT OF HEMATOLOGIC MALIGNANCIES DANA-FARBER CANCER INSTITUTE, INC. (US) 2016-10-06 WO claimed
US-10710978-B2 STK4 inhibitors for treatment of hematologic malignancies DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-07-14 US disclosed
US-20180111916-A1 STK4 INHIBITORS FOR TREATMENT OF HEMATOLOGIC MALIGNANCIES FONDAZIONE CENTRO SAN RAFFAELE (IT) 2018-04-26 US disclosed
US-20180111916-A1 STK4 INHIBITORS FOR TREATMENT OF HEMATOLOGIC MALIGNANCIES FONDAZIONE CENTRO SAN RAFFAELE (IT) 2018-04-26 US disclosed
WO-2016161145-A1 STK4 INHIBITORS FOR TREATMENT OF HEMATOLOGIC MALIGNANCIES DANA-FARBER CANCER INSTITUTE, INC. (US) 2016-10-06 WO disclosed
WO-2016161145-A1 STK4 INHIBITORS FOR TREATMENT OF HEMATOLOGIC MALIGNANCIES DANA-FARBER CANCER INSTITUTE, INC. (US) 2016-10-06 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 (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-20180111916-A1 STK4 INHIBITORS FOR TREATMENT OF HEMATOLOGIC MALIGNANCIES STK4, STK3, STK11 MAPK1 341/4885PARP10 1215/4885PARP11 886/4885
US-10710978-B2 STK4 inhibitors for treatment of hematologic malignancies STK4, STK3, STK11 MAPK1 341/4885PARP10 1215/4885PARP11 886/4885

“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.