SCHEMBL22191657

SCHEMBL22191657

O=c1[nH]c2ccc(-c3cncc(CNc4ccccc4F)c3)cc2[nH]1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.46
▸ GAA P10253 4/20 0.46
▸ PDE3B Q13370 1/20 0.43
▸ PDE3A Q14432 1/20 0.43
▸ GRIA1 P42261 1/20 0.42
▸ CACNG8 Q8WXS5 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.41
▸ TP53 P04637 1/20 0.40
▸ DYRK1A Q13627 2/20 0.39
▸ CLK2 P49760 1/20 0.39
▸ CLK3 P49761 1/20 0.39
▸ TGFBR1 P36897 1/20 0.39
▸ MAPK14 Q16539 1/20 0.39
▸ AKT1 P31749 1/20 0.39
▸ PIM1 P11309 2/20 0.38
▸ PLK4 O00444 1/20 0.38
▸ CHEK1 O14757 1/20 0.38
▸ PRKD3 O94806 1/20 0.38
▸ MAP4K4 O95819 1/20 0.38
▸ CDK1 P06493 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
SCHEMBL22191362 0.86 GRIA1 (0.51) MAPTGAAPDE3BPDE3AGRIA1
SCHEMBL22191718 0.84 MAPT (0.47) MAPTGAAPDE3BPDE3AGRIA1
SCHEMBL22191140 0.83 PDE3B (0.47) MAPTGAAPDE3BPDE3AGRIA1
SCHEMBL22191419 0.81 MAPT (0.53) MAPTGAAPDE3BPDE3AGRIA1
SCHEMBL22191367 0.81 GAA (0.46) MAPTGAAPDE3BPDE3AGRIA1
SCHEMBL22191402 0.79 GAA (0.67) MAPTGAAPDE3BPDE3AGRIA1
SCHEMBL22191810 0.77 THRB (0.53) MAPTGAAPDE3BPDE3AGRIA1
SCHEMBL22191675 0.76 GAA (0.51) MAPTGAAPDE3BPDE3AGRIA1
SCHEMBL22191227 0.76 PDE3B (0.47) MAPTGAAPDE3BPDE3AGRIA1
SCHEMBL22190930 0.74 AURKB (0.44) MAPTGAAPDE3BPDE3AGRIA1

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 MAPT 1320/4885GAA 829/4885PDE3B 855/4885

“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.

Send feedback