SCHEMBL22191838

SCHEMBL22191838

O=c1[nH]c2ccc(-c3cncc(NCc4cccc(F)c4)c3)cc2[nH]1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCNT1 O60563 1/20 0.48
▸ CDK9 P50750 1/20 0.48
▸ DYRK1A Q13627 5/20 0.46
▸ CLK1 P49759 2/20 0.46
▸ GAA P10253 4/20 0.44
▸ KDM4E B2RXH2 3/20 0.44
▸ KCNH2 Q12809 1/20 0.44
▸ MAPT P10636 2/20 0.43
▸ WNT1 P04628 1/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ BRAF P15056 1/20 0.42
▸ PDE3B Q13370 1/20 0.42
▸ PDE3A Q14432 1/20 0.42
▸ CLK4 Q9HAZ1 2/20 0.42
▸ CDC7 O00311 1/20 0.42
▸ ROCK2 O75116 1/20 0.42
▸ MAP4K4 O95819 1/20 0.42
▸ PIM1 P11309 1/20 0.42

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
SCHEMBL22191410 0.87 MAPT (0.50) DYRK1ACLK1GAAKDM4EKCNH2
SCHEMBL22191227 0.87 PDE3B (0.47) GAAKDM4EKCNH2MAPTKMT2A
SCHEMBL22191367 0.87 GAA (0.46) DYRK1AGAAKDM4EMAPTWNT1
SCHEMBL22191607 0.87 FYN (0.54) GAAKDM4EMEN1KMT2APDE3B
SCHEMBL22191602 0.87 GAA (0.48) DYRK1AGAAKDM4EMAPTPDE3B
SCHEMBL22191151 0.84 BCL6 (0.48) DYRK1ACLK1KDM4EMAPTMEN1
SCHEMBL22191698 0.84 LRRK2 (0.50) DYRK1AGAAKDM4EPDE3BPDE3A
SCHEMBL22191218 0.84 GAA (0.52) DYRK1ACLK1GAAKDM4EMAPT
SCHEMBL22191321 0.84 DYRK1A (0.48) DYRK1ACLK1GAAKDM4EMAPT
SCHEMBL22191371 0.82 PDE3B (0.57) DYRK1AGAAKDM4EMAPTPDE3B

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 CCNT1 831/4885CDK9 132/4885DYRK1A 481/4885

“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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