SCHEMBL22191602

SCHEMBL22191602

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 3/20 0.48
▸ THRB P10828 2/20 0.48
▸ MAPT P10636 1/20 0.48
▸ GRIA1 P42261 2/20 0.47
▸ CACNG8 Q8WXS5 2/20 0.47
▸ DYRK1A Q13627 1/20 0.46
▸ MAOB P27338 1/20 0.45
▸ KDM4E B2RXH2 1/20 0.44
▸ PDE3B Q13370 1/20 0.42
▸ PDE3A Q14432 1/20 0.42
▸ BRD4 O60885 1/20 0.41
▸ FABP4 P15090 1/20 0.41
▸ FYN P06241 1/20 0.41
▸ GRM4 Q14833 1/20 0.41
▸ ROCK2 O75116 1/20 0.41
▸ EGFR P00533 1/20 0.41
▸ IGF1R P08069 1/20 0.41
▸ GPR84 Q9NQS5 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ XDH P47989 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
SCHEMBL22191660 0.87 THRB (0.50) GAATHRBMAPTGRIA1CACNG8
SCHEMBL22191227 0.87 PDE3B (0.47) GAAMAPTGRIA1CACNG8KDM4E
SCHEMBL22191675 0.87 GAA (0.51) GAATHRBMAPTGRIA1CACNG8
SCHEMBL22191607 0.87 FYN (0.54) GAAGRIA1CACNG8KDM4EPDE3B
SCHEMBL22191838 0.87 CCNT1 (0.48) GAAMAPTGRIA1CACNG8DYRK1A
SCHEMBL22191151 0.84 BCL6 (0.48) MAPTGRIA1CACNG8DYRK1AKDM4E
SCHEMBL22191218 0.84 GAA (0.52) GAAMAPTDYRK1AKDM4EBRD4
SCHEMBL22191698 0.84 LRRK2 (0.50) GAAGRIA1CACNG8DYRK1AKDM4E
SCHEMBL22191691 0.83 PLK4 (0.48) GAAMAPTGRIA1CACNG8KDM4E
SCHEMBL22191371 0.82 PDE3B (0.57) GAATHRBMAPTGRIA1CACNG8

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 GAA 829/4885THRB 408/4885MAPT 1320/4885

“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