SCHEMBL22191698

SCHEMBL22191698

N#Cc1cccc(CNc2cncc(-c3ccc4[nH]c(=O)[nH]c4c3)c2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 1/20 0.50
▸ DYRK1A Q13627 2/20 0.48
▸ KDM4E B2RXH2 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ VNN1 O95497 2/20 0.42
▸ GABRG2 P18507 1/20 0.42
▸ GABRB3 P28472 1/20 0.42
▸ GABRA5 P31644 1/20 0.42
▸ GABRA3 P34903 1/20 0.42
▸ GRIA1 P42261 2/20 0.40
▸ CACNG8 Q8WXS5 2/20 0.40
▸ ITK Q08881 2/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ GRIN1 Q05586 1/20 0.40
▸ GRIN2B Q13224 1/20 0.40
▸ NOS1 P29475 1/20 0.40
▸ PDE3B Q13370 1/20 0.40
▸ PDE3A Q14432 1/20 0.40

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
SCHEMBL22191749 0.88 LRRK2 (0.47) LRRK2DYRK1AKDM4EGAAGRIA1
SCHEMBL22191227 0.84 PDE3B (0.47) KDM4EGAAGRIA1CACNG8PDE3B
SCHEMBL22191838 0.84 CCNT1 (0.48) DYRK1AKDM4EGAAGRIA1CACNG8
SCHEMBL22191602 0.84 GAA (0.48) DYRK1AKDM4EGAAGRIA1CACNG8
SCHEMBL22191607 0.84 FYN (0.54) KDM4EGAAGRIA1CACNG8GRIN1
SCHEMBL22191048 0.84 VNN1 (0.55) LRRK2DYRK1AVNN1GRIN1GRIN2B
SCHEMBL22191151 0.81 BCL6 (0.48) DYRK1AKDM4EGRIA1CACNG8CYP3A4
SCHEMBL22191218 0.81 GAA (0.52) DYRK1AKDM4EGAA
SCHEMBL22191691 0.80 PLK4 (0.48) KDM4EGAAGRIA1CACNG8PDE3B
SCHEMBL22191371 0.80 PDE3B (0.57) DYRK1AKDM4EGAAGRIA1CACNG8

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 481/4885KDM4E 2309/4885

“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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