SCHEMBL20087292

SCHEMBL20087292

C#Cc1ccc(-c2cnc(N)c(-c3ccc4c(c3)CCNC4=O)c2)c(OC)c1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.52
▸ GRM5 P41594 9/20 0.45
▸ MAPKAPK2 P49137 2/20 0.43
▸ GSK3B P49841 1/20 0.41
▸ PARP10 Q53GL7 3/20 0.40
▸ PARP11 Q9NR21 3/20 0.40
▸ TGFBR1 P36897 3/20 0.39
▸ ACVR1 Q04771 3/20 0.39
▸ FYN P06241 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
SCHEMBL18113197 0.92 MAPK1 (0.53) MAPK1GRM5MAPKAPK2GSK3BPARP10
SCHEMBL18113021 0.83 MAPK1 (0.50) MAPK1GRM5MAPKAPK2PARP10PARP11
SCHEMBL18113027 0.83 MAPK1 (0.53) MAPK1GRM5MAPKAPK2PARP10PARP11
SCHEMBL18113048 0.82 MAPK1 (0.51) MAPK1MAPKAPK2PARP10PARP11TGFBR1
SCHEMBL18113024 0.80 MAPK1 (0.54) MAPK1MAPKAPK2GSK3BTGFBR1ACVR1
SCHEMBL18112932 0.79 KCNH2 (0.55) MAPK1
SCHEMBL22209338 0.79 MAPK1 (0.50) MAPK1GRM5MAPKAPK2GSK3BPARP10
SCHEMBL18113043 0.78 MAPK1 (0.49) MAPK1MAPKAPK2GSK3BPARP10PARP11
SCHEMBL18112995 0.78 MAPK1 (0.49) MAPK1GRM5MAPKAPK2PARP10PARP11
SCHEMBL22209337 0.78 MAPK1 (0.59) MAPK1MAPKAPK2GSK3BTGFBR1ACVR1

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 3 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
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 341/4885GRM5 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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