SCHEMBL22191518

SCHEMBL22191518

O=c1[nH]c2ccc(-c3cnc(NCc4ccc5ccccc5c4)nc3)cc2[nH]1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE3B Q13370 2/20 0.45
▸ PDE3A Q14432 2/20 0.45
▸ 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
▸ PLK4 O00444 1/20 0.42
▸ CHEK1 O14757 1/20 0.42
▸ PRKD3 O94806 1/20 0.42
▸ MAP4K4 O95819 1/20 0.42
▸ CDK1 P06493 1/20 0.42
▸ LYN P07948 1/20 0.42
▸ RET P07949 1/20 0.42
▸ PIM1 P11309 1/20 0.42
▸ FER P16591 1/20 0.42
▸ CDK2 P24941 1/20 0.42
▸ MARK3 P27448 1/20 0.42
▸ FLT4 P35916 1/20 0.42

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
SCHEMBL28644765 0.86 PLK4 (0.55) PDE3BPDE3APLK4CHEK1PRKD3
SCHEMBL22191095 0.86 PLK4 (0.50) PDE3BPDE3APLK4CHEK1PRKD3
SCHEMBL22191426 0.83 GABRA1 (0.43) PDE3BPDE3AGABRA1GABRG2GABRB3
SCHEMBL22191321 0.82 DYRK1A (0.48) PDE3BPDE3AMAP4K4PIM1CDK2
SCHEMBL22190998 0.81 GAA (0.47) PDE3BPDE3AKMT2AMEN1KDM4E
SCHEMBL22191481 0.81 VNN1 (0.48) PDE3BPDE3AKMT2AMEN1KDM4E
SCHEMBL29437806 0.81 DYRK1A (0.48) PDE3BPDE3APLK4CHEK1PRKD3
SCHEMBL22191264 0.81 DYRK1A (0.48) PDE3BPDE3APLK4CHEK1PRKD3
SCHEMBL22191100 0.81 VNN1 (0.51) GSK3AGSK3BCLK4KMT2AMEN1
SCHEMBL22190922 0.81 HDAC3 (0.52) GAAGRIA1CACNG8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220064146-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 2022-03-03 — — US disclosed
EP-3906028-A1 KINASE INHIBITOR COMPOUNDS AND COMPOSITIONS AND METHODS OF USE Icahn School of Medicine at Mount Sinai (US) 2021-11-10 — — EP disclosed
CN-113543783-A Kinase inhibitor compounds and compositions and methods of use 西奈山伊坎医学院 2021-10-22 — — CN disclosed
WO-2020142486-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-20220064146-A1 KINASE INHIBITOR COMPOUNDS AND COMPOSITIONS AND METHODS OF USE CSNK1A1, MAP3K20, CSNK1G3 PDE3B 1034/4885PDE3A 866/4885GABRA1 2486/4885

“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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