SCHEMBL20091533

SCHEMBL20091533

Nc1ccc(-c2cnc(N)c(-c3ccc4c(c3)CCNC4=O)c2)c(F)c1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.59
PARP10 Q53GL7 8/20 0.51
PARP11 Q9NR21 7/20 0.51
GRM5 P41594 2/20 0.43
MAPKAPK2 P49137 3/20 0.42
FEN1 P39748 2/20 0.42
PRF1 P14222 1/20 0.42
ALOX5AP P20292 1/20 0.41
GSK3B P49841 1/20 0.41
PIM1 P11309 1/20 0.41
PIM2 Q9P1W9 1/20 0.41
PARP1 P09874 1/20 0.40
TDP2 O95551 1/20 0.40

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
SCHEMBL25060612 0.89 MAPK1 (0.55) MAPK1PARP10PARP11GRM5MAPKAPK2
SCHEMBL18113016 0.89 MAPK1 (0.57) MAPK1PARP10PARP11GRM5MAPKAPK2
SCHEMBL18113034 0.86 MAPK1 (0.56) MAPK1PARP10PARP11GRM5MAPKAPK2
SCHEMBL18112980 0.86 MAPK1 (0.56) MAPK1PARP10PARP11GRM5MAPKAPK2
SCHEMBL22580810 0.86 MAPK1 (0.50) MAPK1PARP10PARP11MAPKAPK2FEN1
SCHEMBL24681317 0.86 MAPK1 (0.52) MAPK1PARP10PARP11MAPKAPK2GSK3B
SCHEMBL18113019 0.86 MAPK1 (0.52) MAPK1PARP10PARP11GRM5MAPKAPK2
SCHEMBL18936971 0.85 MAPK1 (0.60) MAPK1PARP10PARP11GRM5MAPKAPK2
SCHEMBL21062744 0.83 MAPK1 (0.49) MAPK1PARP10PARP11MAPKAPK2FEN1
SCHEMBL24681219 0.83 MAPK1 (0.58) MAPK1PARP10PARP11MAPKAPK2FEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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.