SCHEMBL22191407

SCHEMBL22191407

C[C@@H](Nc1cncc(-c2ccc3[nH]c(=O)[nH]c3c2)c1)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCNC P24863 1/20 0.46
▸ CDK8 P49336 1/20 0.46
▸ HTR7 P34969 4/20 0.46
▸ PDE3B Q13370 1/20 0.44
▸ PDE3A Q14432 1/20 0.44
▸ GRIA1 P42261 1/20 0.43
▸ CACNG8 Q8WXS5 1/20 0.43
▸ AKT1 P31749 1/20 0.43
▸ DYRK1A Q13627 5/20 0.42
▸ MAPK14 Q16539 1/20 0.42
▸ CDK2 P24941 2/20 0.41
▸ PLK4 O00444 1/20 0.41
▸ CHEK1 O14757 1/20 0.41
▸ PRKD3 O94806 1/20 0.41
▸ MAP4K4 O95819 1/20 0.41
▸ CDK1 P06493 1/20 0.41
▸ LYN P07948 1/20 0.41
▸ RET P07949 1/20 0.41
▸ PIM1 P11309 1/20 0.41
▸ FER P16591 1/20 0.41

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
SCHEMBL22191728 1.00 CCNC (0.46) CCNCCDK8HTR7PDE3BPDE3A
SCHEMBL22191409 1.00 CCNC (0.46) CCNCCDK8HTR7PDE3BPDE3A
SCHEMBL22191148 0.84 PGR (0.46) CCNCCDK8HTR7DYRK1AFDPS
SCHEMBL22191225 0.84 PGR (0.46) CCNCCDK8HTR7DYRK1AFDPS
SCHEMBL15807022 0.83 CCNC (0.67) CCNCCDK8PDE3BPDE3AGRIA1
SCHEMBL22190996 0.81 HDAC6 (0.47) PDE3BPDE3AGRIA1CACNG8DYRK1A
SCHEMBL22190879 0.81 HDAC6 (0.47) PDE3BPDE3AGRIA1CACNG8DYRK1A
SCHEMBL22190878 0.81 HDAC6 (0.47) PDE3BPDE3AGRIA1CACNG8DYRK1A
SCHEMBL22191846 0.80 XDH (0.54) PDE3BPDE3AGRIA1CACNG8AKT1
SCHEMBL24137493 0.80 JAK2 (0.53) CCNCCDK8HTR7DYRK1ACDK2

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
EP-3906233-B1 KINASE INHIBITOR COMPOUNDS AND COMPOSITIONS AND METHODS OF USE ICAHN SCHOOL MED MOUNT SINAI (US) 2024-01-31 — — EP disclosed
US-20220162182-A1 KINASE INHIBITOR COMPOUNDS AND COMPOSITIONS AND METHODS OF USE NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2022-05-26 — — US disclosed
US-20220162182-A1 KINASE INHIBITOR COMPOUNDS AND COMPOSITIONS AND METHODS OF USE NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2022-05-26 — — US disclosed
EP-3906233-A1 KINASE INHIBITOR COMPOUNDS AND COMPOSITIONS AND METHODS OF USE Icahn School of Medicine at Mount Sinai (US) 2021-11-10 — — EP disclosed
CN-113508111-A Kinase inhibitor compounds and compositions and methods of use 西奈山伊坎医学院 2021-10-15 — — CN disclosed
WO-2020142485-A1 KINASE INHIBITOR COMPOUNDS AND COMPOSITIONS AND METHODS OF USE ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) 2020-07-09 — — 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 (1 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-20220162182-A1 KINASE INHIBITOR COMPOUNDS AND COMPOSITIONS AND METHODS OF USE MAP3K20, MAP3K1, PACSIN2 CCNC 594/4885CDK8 163/4885HTR7 1352/4885

“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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