SCHEMBL18113197

SCHEMBL18113197

COc1cc(C#N)ccc1-c1cnc(N)c(-c2ccc3c(c2)CCNC3=O)c1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.53
▸ GRM5 P41594 7/20 0.45
▸ MAPKAPK2 P49137 2/20 0.44
▸ PARP10 Q53GL7 3/20 0.41
▸ PARP11 Q9NR21 3/20 0.41
▸ MAP4K4 O95819 2/20 0.40
▸ TGFBR1 P36897 2/20 0.40
▸ ACVR1 Q04771 2/20 0.40
▸ MINK1 Q8N4C8 1/20 0.40
▸ TNIK Q9UKE5 1/20 0.40
▸ GRIN1 Q05586 1/20 0.40
▸ GRIN2B Q13224 1/20 0.40
▸ GSK3B P49841 1/20 0.39
▸ AXL P30530 1/20 0.39
▸ MERTK Q12866 1/20 0.39

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
SCHEMBL20087292 0.92 MAPK1 (0.52) MAPK1GRM5MAPKAPK2PARP10PARP11
SCHEMBL18113021 0.89 MAPK1 (0.50) MAPK1GRM5MAPKAPK2PARP10PARP11
SCHEMBL18112990 0.85 MAPK1 (0.52) MAPK1GRM5MAPKAPK2PARP10PARP11
SCHEMBL18113027 0.83 MAPK1 (0.53) MAPK1GRM5MAPKAPK2PARP10PARP11
SCHEMBL18113048 0.83 MAPK1 (0.51) MAPK1MAPKAPK2PARP10PARP11TGFBR1
SCHEMBL18112900 0.82 MAPK1 (0.54) MAPK1GRM5MAPKAPK2PARP10PARP11
SCHEMBL18113024 0.81 MAPK1 (0.54) MAPK1MAPKAPK2TGFBR1ACVR1GSK3B
SCHEMBL22209338 0.80 MAPK1 (0.50) MAPK1GRM5MAPKAPK2PARP10PARP11
SCHEMBL18112932 0.80 KCNH2 (0.55) MAPK1
SCHEMBL18113043 0.79 MAPK1 (0.49) MAPK1MAPKAPK2PARP10PARP11GSK3B

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 341/4885GRM5 1520/4885MAPKAPK2 90/4885
US-10710978-B2 STK4 inhibitors for treatment of hematologic malignancies STK4, STK3, STK11 MAPK1 341/4885GRM5 1520/4885MAPKAPK2 90/4885

“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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