SCHEMBL22190852

SCHEMBL22190852

Cc1nc(NCc2ccccc2)ncc1-c1ccc2[nH]c(=O)[nH]c2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ RECQL P46063 1/20 0.45
▸ PTGS2 P35354 1/20 0.43
▸ FGFR1 P11362 1/20 0.42
▸ PLK1 P53350 1/20 0.41
▸ GRIA1 P42261 1/20 0.41
▸ CACNG8 Q8WXS5 1/20 0.41
▸ BRD4 O60885 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ ABL1 P00519 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ GSK3B P49841 2/20 0.40
▸ CSNK1G2 P78368 2/20 0.40
▸ CDK2 P24941 2/20 0.40
▸ PIM1 P11309 2/20 0.40
▸ PLK4 O00444 1/20 0.40
▸ CHEK1 O14757 1/20 0.40
▸ PRKD3 O94806 1/20 0.40
▸ MAP4K4 O95819 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
SCHEMBL22191485 0.89 PTGS2 (0.44) PTGS2GRIA1CYP2C9KMT2A
SCHEMBL22191260 0.82 KMT2A (0.45) RECQLGRIA1CACNG8BRD4CYP2C9
SCHEMBL22191095 0.82 PLK4 (0.50) RECQLGRIA1CACNG8KMT2AGSK3B
SCHEMBL22191404 0.78 MAP4K4 (0.47) RECQLFGFR1GRIA1CACNG8BRD4
SCHEMBL22191614 0.78 DYRK1A (0.54) CDK2CLK4CDC7XDH
SCHEMBL28644765 0.77 PLK4 (0.55) GRIA1CACNG8KMT2AGSK3BCSNK1G2
SCHEMBL22191031 0.76 RECQL (0.46) RAB9ANPSR1RECQLGSK3BCSNK1G2
SCHEMBL22191334 0.75 PLK4 (0.48) RECQLPTGS2KMT2AGSK3BCSNK1G2
SCHEMBL22191340 0.74 PDE3B (0.48) GRIA1CACNG8BRD4CYP2C9GSK3B
SCHEMBL22191786 0.74 KDM4C (0.48) GRIA1CACNG8BRD4CYP2C9GSK3B

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 RAB9A 1625/4885NPSR1 950/4885RECQL 1392/4885

“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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