SCHEMBL22191355

SCHEMBL22191355

O=c1[nH]c2ccc(-c3cncc(NCc4ccccc4)n3)cc2[nH]1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FYN P06241 1/20 0.60
▸ BRAF P15056 4/20 0.55
▸ KDR P35968 1/20 0.52
▸ GRIA1 P42261 1/20 0.44
▸ CACNG8 Q8WXS5 1/20 0.44
▸ CDK9 P50750 3/20 0.44
▸ PIM1 P11309 2/20 0.44
▸ PIM3 Q86V86 2/20 0.44
▸ PIM2 Q9P1W9 2/20 0.44
▸ CCNT1 O60563 1/20 0.43
▸ XDH P47989 1/20 0.43
▸ PDE3B Q13370 1/20 0.42
▸ PDE3A Q14432 1/20 0.42
▸ ROCK2 O75116 1/20 0.42
▸ PRKACA P17612 1/20 0.42
▸ RPS6KB1 P23443 1/20 0.42
▸ CDK2 P24941 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ CLK2 P49760 1/20 0.42
▸ GSK3A P49840 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
SCHEMBL22191266 0.82 TPH1 (0.49) KDRPIM1PIM3XDHROCK2
SCHEMBL22191011 0.80 CYP1A2 (0.59) KDRPIM1PIM3ROCK2PRKACA
SCHEMBL22191334 0.79 PLK4 (0.48) KDRPIM1PIM3PDE3BPDE3A
SCHEMBL22191227 0.78 PDE3B (0.47) KDRGRIA1CACNG8PIM1PIM3
SCHEMBL22191614 0.77 DYRK1A (0.54) XDHCDK2CLK2DYRK1ACLK4
SCHEMBL22191095 0.76 PLK4 (0.50) KDRGRIA1CACNG8PIM1PIM3
SCHEMBL4991252 0.76 FYN (0.62) FYNBRAFKDRCCNT1MAPK1
SCHEMBL18613249 0.75 FYN (1.00) FYNBRAFKDRPIM1PIM3
SCHEMBL22191786 0.74 KDM4C (0.48) GRIA1CACNG8CDK9PDE3BPDE3A
SCHEMBL22191340 0.74 PDE3B (0.48) GRIA1CACNG8CDK9PDE3BPDE3A

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 FYN 356/4885BRAF 93/4885KDR 2167/4885

“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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