SCHEMBL5431877

SCHEMBL5431877

Clc1cc(-c2cn[nH]c2)ncn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 2/20 0.44
▸ BCR P11274 1/20 0.44
▸ PIM1 P11309 6/20 0.43
▸ PIM3 Q86V86 1/20 0.43
▸ PIM2 Q9P1W9 1/20 0.43
▸ AKT2 P31751 7/20 0.42
▸ AKT1 P31749 5/20 0.42
▸ PRKACA P17612 3/20 0.39
▸ PKN2 Q16513 2/20 0.39
▸ CDC7 O00311 1/20 0.39
▸ DAPK3 O43293 1/20 0.39
▸ MAP4K4 O95819 1/20 0.39
▸ FLT3 P36888 1/20 0.39
▸ CDK8 P49336 1/20 0.39
▸ CLK2 P49760 1/20 0.39
▸ GSK3B P49841 1/20 0.39
▸ CDK7 P50613 1/20 0.39
▸ CDK9 P50750 1/20 0.39
▸ PRKX P51817 1/20 0.39
▸ CDK5 Q00535 1/20 0.39

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
SCHEMBL15223496 0.78 PIM1 (0.50) ABL1BCRPIM1PIM3PIM2
SCHEMBL23276953 0.74 IDO1 (0.57) PIM1PIM3PIM2AKT2AKT1
SCHEMBL12147173 0.74 PDPK1 (0.44) ABL1BCRPIM1PIM3PIM2
SCHEMBL21709594 0.74 PIM1 (0.43) ABL1BCRPIM1PIM3PIM2
SCHEMBL13354620 0.74 ABL1 (0.53) ABL1BCRPIM1PIM3PIM2
SCHEMBL12145883 0.74 ABL1 (0.44) ABL1BCRPIM1PIM3PIM2
SCHEMBL15574039 0.73 AKT2 (0.50) AKT2AKT1PRKACAPKN2CLK2
SCHEMBL14941606 0.73 PIK3CD (0.52) ABL1AKT2AKT1PRKACAPKN2
SCHEMBL13472341 0.73 KMO (0.58) —
SCHEMBL15507159 0.73 AKT2 (0.42) PIM1PIM3PIM2AKT2AKT1

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
WO-2007076473-A2 SUBSTITUTED PYRIMIDINYLOXY UREAS USEFUL AS INHIBITORS OF PROTEIN KINASES KALYPSYS, INC. (US) 2007-07-05 — — WO disclosed
US-20070155764-A1 NOVEL SUBSTITUTED PYRIMIDINYLOXY UREAS USEFUL AS INHIBITORS OF PROTEIN KINASES KALYPSYS, INC. (US) 2007-07-05 — — US disclosed
US-20070155764-A1 NOVEL SUBSTITUTED PYRIMIDINYLOXY UREAS USEFUL AS INHIBITORS OF PROTEIN KINASES KALYPSYS, INC. (US) 2007-07-05 — — US disclosed
US-20070155764-A1 NOVEL SUBSTITUTED PYRIMIDINYLOXY UREAS USEFUL AS INHIBITORS OF PROTEIN KINASES KALYPSYS, INC. (US) 2007-07-05 — — US 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-20070155764-A1 NOVEL SUBSTITUTED PYRIMIDINYLOXY UREAS USEFUL AS INHIBITORS OF PROTEIN KINASES BRAF, ARAF, RAF1 ABL1 47/4885BCR 88/4885PIM1 439/4885

“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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