SCHEMBL18112995

SCHEMBL18112995

COc1ccc(-c2cnc(N)c(-c3ccc4c(c3)CCNC4=O)c2)c(F)c1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.49
▸ PARP10 Q53GL7 3/20 0.43
▸ PARP11 Q9NR21 3/20 0.43
▸ MAPKAPK2 P49137 3/20 0.42
▸ ACVR1 Q04771 3/20 0.40
▸ TGFBR1 P36897 2/20 0.40
▸ FYN P06241 5/20 0.40
▸ CD274 Q9NZQ7 1/20 0.40
▸ ALOX5AP P20292 1/20 0.39
▸ FEN1 P39748 1/20 0.39
▸ CHEK1 O14757 1/20 0.38
▸ CHEK2 O96017 1/20 0.38
▸ RIPK2 O43353 1/20 0.37
▸ NOD2 Q9HC29 1/20 0.37
▸ GRM5 P41594 2/20 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
SCHEMBL18112922 0.85 MAPK1 (0.45) MAPK1PARP10PARP11MAPKAPK2FYN
SCHEMBL18112893 0.84 MAPK1 (0.52) MAPK1PARP10PARP11MAPKAPK2ALOX5AP
SCHEMBL18123175 0.82 MAPK1 (0.52) MAPK1PARP10PARP11MAPKAPK2ACVR1
SCHEMBL18123135 0.82 MAPK1 (0.52) MAPK1PARP10PARP11MAPKAPK2GRM5
SCHEMBL18112926 0.82 MAPK1 (0.50) MAPK1PARP10PARP11MAPKAPK2GRM5
SCHEMBL18113019 0.81 MAPK1 (0.52) MAPK1PARP10PARP11MAPKAPK2ALOX5AP
SCHEMBL18112964 0.81 MAPK1 (0.54) MAPK1PARP10PARP11MAPKAPK2GRM5
SCHEMBL18113021 0.81 MAPK1 (0.50) MAPK1PARP10PARP11MAPKAPK2ACVR1
SCHEMBL18113027 0.81 MAPK1 (0.53) MAPK1PARP10PARP11MAPKAPK2ACVR1
SCHEMBL18113012 0.81 MAPK1 (0.46) MAPK1PARP10PARP11MAPKAPK2

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 5 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

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.

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