SCHEMBL22191426

SCHEMBL22191426

O=c1[nH]c2ccc(-c3cncc(NCc4ccc5ccccc5c4)c3)cc2[nH]1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GABRA1 P14867 1/20 0.43
▸ GABRG2 P18507 1/20 0.43
▸ GABRB3 P28472 1/20 0.43
▸ GABRA5 P31644 1/20 0.43
▸ GABRA3 P34903 1/20 0.43
▸ GABRA2 P47869 1/20 0.43
▸ PDE3B Q13370 2/20 0.42
▸ PDE3A Q14432 2/20 0.42
▸ GAA P10253 3/20 0.42
▸ KDM4E B2RXH2 2/20 0.42
▸ AKT1 P31749 1/20 0.42
▸ GRIA1 P42261 1/20 0.41
▸ CACNG8 Q8WXS5 1/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ MAPT P10636 2/20 0.40
▸ FFAR1 O14842 1/20 0.40
▸ FYN P06241 1/20 0.39
▸ CDK7 P50613 1/20 0.39
▸ INSR P06213 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
SCHEMBL22191691 0.87 PLK4 (0.48) PDE3BPDE3AGAAKDM4EAKT1
SCHEMBL22191227 0.87 PDE3B (0.47) PDE3BPDE3AGAAKDM4EGRIA1
SCHEMBL22191518 0.83 PDE3B (0.45) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL22191410 0.83 MAPT (0.50) PDE3BPDE3AGAAKDM4EGRIA1
SCHEMBL22191660 0.83 THRB (0.50) PDE3BPDE3AGAAKDM4EGRIA1
SCHEMBL22191371 0.82 PDE3B (0.57) PDE3BPDE3AGAAKDM4EAKT1
SCHEMBL22191607 0.82 FYN (0.54) PDE3BPDE3AGAAKDM4EAKT1
SCHEMBL22191838 0.82 CCNT1 (0.48) PDE3BPDE3AGAAKDM4EGRIA1
SCHEMBL22191602 0.82 GAA (0.48) PDE3BPDE3AGAAKDM4EGRIA1
SCHEMBL22191151 0.82 BCL6 (0.48) PDE3BPDE3AKDM4EGRIA1CACNG8

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 GABRA1 2849/4885GABRG2 3234/4885GABRB3 1752/4885

“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