SCHEMBL13543787

SCHEMBL13543787

O=C(Nc1nnc(CCN2CCCCC2)s1)c1n[nH]cc1NC(=O)c1c(F)cccc1F

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.55
▸ ALDH1A1 P00352 2/20 0.55
▸ KMT2A Q03164 3/20 0.49
▸ CYP2D6 P10635 2/20 0.49
▸ MEN1 O00255 2/20 0.49
▸ GLS O94925 4/20 0.42
▸ ALOX15 P16050 1/20 0.41
▸ MAPK1 P28482 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ CASP3 P42574 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ SENP7 Q9BQF6 1/20 0.40
▸ CHRNA7 P36544 1/20 0.40
▸ KCNH2 Q12809 1/20 0.40
▸ BCL3 P20749 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
SCHEMBL13543795 0.78 ALDH1A1 (0.39) SMN1; SMN2ALDH1A1KMT2AMEN1MAPK1
SCHEMBL954760 0.75 MAPT (0.44) ALDH1A1KMT2AMEN1POLBBCL3
SCHEMBL957518 0.75 RXFP1 (0.44) KCNH2BCL3
SCHEMBL8223960 0.72 BCL3 (0.70) SMN1; SMN2ALDH1A1KMT2AMEN1BCL3
SCHEMBL3587804 0.71 MEN1 (0.47) SMN1; SMN2ALDH1A1KMT2AMEN1POLB
SCHEMBL13543794 0.71 MAPT (0.62) SMN1; SMN2ALDH1A1KMT2ACYP2D6MEN1
SCHEMBL955297 0.71 DYRK1A (0.54) CYP2D6BCL3
SCHEMBL13543797 0.70 BCL3 (0.47) SMN1; SMN2ALDH1A1KMT2AMEN1HSD17B10
SCHEMBL1286719 0.70 L3MBTL1 (0.48) CYP2D6KCNH2BCL3
SCHEMBL3588253 0.69 MEN1 (0.44) SMN1; SMN2ALDH1A1KMT2AMEN1POLB

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 SMN1; SMN2 3577/4885ALDH1A1 3489/4885KMT2A 736/4885

“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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