SCHEMBL13543797

SCHEMBL13543797

O=C(Nc1nc(CN2CCOCC2)cs1)c1n[nH]cc1NC(=O)c1c(F)cccc1F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BCL3 P20749 2/20 0.47
▸ ALDH1A1 P00352 3/20 0.41
▸ GCK P35557 1/20 0.40
▸ TRPV4 Q9HBA0 1/20 0.39
▸ RAB9A P51151 3/20 0.38
▸ NPC1 O15118 2/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ GAA P10253 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ SMN1; SMN2 Q16637 4/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ MAPT P10636 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ ABL1 P00519 1/20 0.38
▸ WDR5 P61964 1/20 0.38
▸ ALK Q9UM73 1/20 0.37
▸ TP53 P04637 1/20 0.37
▸ PDE5A O76074 1/20 0.37

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
SCHEMBL13543795 0.91 ALDH1A1 (0.39) BCL3ALDH1A1RAB9ANPC1KMT2A
SCHEMBL12002312 0.80 ACKR3 (0.50) BCL3ALDH1A1RAB9ANPC1KMT2A
SCHEMBL8223960 0.79 BCL3 (0.70) BCL3ALDH1A1KMT2AGAASMN1; SMN2
SCHEMBL13993631 0.76 RAB9A (0.56) BCL3ALDH1A1RAB9ANPC1KMT2A
SCHEMBL1644911 0.72 BCL3 (0.46) BCL3ALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL1286693 0.71 CDK2 (0.50) BCL3RAB9ANPC1
SCHEMBL1286726 0.71 CDK2 (0.46) BCL3ALDH1A1RAB9ANPC1
SCHEMBL8262294 0.71 CDK2 (0.46) BCL3ALDH1A1RAB9ANPC1
SCHEMBL8260901 0.71 CDK2 (0.46) BCL3ALDH1A1RAB9ANPC1
SCHEMBL8228035 0.71 CCNA2 (0.55) BCL3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100004243-A1 PHARMACEUTICAL COMPOUNDS ASTEX THERAPEUTICS LIMITED (GB) 2010-01-07 — — US disclosed
US-20100004243-A1 PHARMACEUTICAL COMPOUNDS ASTEX THERAPEUTICS LIMITED (GB) 2010-01-07 — — US disclosed
WO-2008007123-A2 PHARMACEUTICAL COMPOUNDS ASTEX THERAPEUTICS LIMITED (GB) 2008-01-17 — — 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-20100004243-A1 PHARMACEUTICAL COMPOUNDS CDK1, CDK2, CDK4 BCL3 697/4885ALDH1A1 3489/4885GCK 1070/4885

“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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