SCHEMBL22191749

SCHEMBL22191749

N#Cc1ccc(CNc2cncc(-c3ccc4[nH]c(=O)[nH]c4c3)c2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 1/20 0.47
▸ DYRK1A Q13627 2/20 0.46
▸ KDM1A O60341 1/20 0.43
▸ HDAC1 Q13547 1/20 0.43
▸ PDE3B Q13370 1/20 0.42
▸ PDE3A Q14432 1/20 0.42
▸ KDM4E B2RXH2 4/20 0.42
▸ GRIA1 P42261 1/20 0.41
▸ CACNG8 Q8WXS5 1/20 0.41
▸ ALDH1A1 P00352 3/20 0.40
▸ HPGD P15428 2/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ CDK5 Q00535 1/20 0.39
▸ CDK5R1 Q15078 1/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ GAA P10253 2/20 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
SCHEMBL22191698 0.88 LRRK2 (0.50) LRRK2DYRK1APDE3BPDE3AKDM4E
SCHEMBL22191691 0.85 PLK4 (0.48) PDE3BPDE3AKDM4EGRIA1CACNG8
SCHEMBL22191660 0.85 THRB (0.50) DYRK1APDE3BPDE3AKDM4EGRIA1
SCHEMBL22191410 0.85 MAPT (0.50) DYRK1APDE3BPDE3AKDM4EGRIA1
SCHEMBL22191227 0.85 PDE3B (0.47) PDE3BPDE3AKDM4EGRIA1CACNG8
SCHEMBL22191371 0.85 PDE3B (0.57) DYRK1APDE3BPDE3AKDM4EGRIA1
SCHEMBL22191472 0.83 DYRK1A (0.48) LRRK2DYRK1APDE3BPDE3AKDM4E
SCHEMBL22191159 0.82 KDM4E (0.47) DYRK1AKDM1AHDAC1PDE3BPDE3A
SCHEMBL22191669 0.81 DYRK1A (0.46) DYRK1AHDAC1PDE3BPDE3AKDM4E
SCHEMBL22191151 0.80 BCL6 (0.48) DYRK1APDE3BPDE3AKDM4EGRIA1

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 LRRK2 356/4885DYRK1A 481/4885KDM1A 2059/4885

“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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