SCHEMBL1271572

SCHEMBL1271572

COCc1nnc(NC(=O)c2cc(N3CCOCC3)nc(N3CCOCC3)n2)s1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.47
▸ NPC1 O15118 4/20 0.47
▸ RAB9A P51151 4/20 0.47
▸ SMN1; SMN2 Q16637 4/20 0.47
▸ HTT P42858 1/20 0.47
▸ BRD4 O60885 1/20 0.46
▸ KDM4E B2RXH2 3/20 0.46
▸ HSD17B10 Q99714 3/20 0.46
▸ HPGD P15428 3/20 0.46
▸ GAA P10253 3/20 0.45
▸ KMT2A Q03164 3/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ THRB P10828 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ POLB P06746 1/20 0.43
▸ CCR6 P51684 1/20 0.43
▸ TP53 P04637 1/20 0.43
▸ POLQ O75417 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ MMP13 P45452 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
SCHEMBL1270737 0.73 MAPT (0.52) ALDH1A1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL11926349 0.72 NAPEPLD (0.46) NPC1RAB9ATSHRPOLQ
SCHEMBL425091 0.70 RAF1 (0.62) —
SCHEMBL1271927 0.70 KMT2A (0.52) ALDH1A1SMN1; SMN2KDM4EGAAKMT2A
SCHEMBL1271891 0.69 KMO (0.61) ALDH1A1SMN1; SMN2HTTKDM4EHSD17B10
SCHEMBL6651425 0.68 POLB (0.64) ALDH1A1SMN1; SMN2HTTKDM4EHSD17B10
SCHEMBL1271602 0.67 AKT1 (0.61) ALDH1A1RAB9ASMN1; SMN2HTTKDM4E
SCHEMBL425521 0.67 RAF1 (0.51) ALDH1A1KDM4ETP53MAPK1
SCHEMBL11926313 0.67 NPC1 (0.43) ALDH1A1NPC1RAB9ASMN1; SMN2POLQ
SCHEMBL3114692 0.66 RAF1 (0.50) NPC1SMN1; SMN2KDM4EGAATP53

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-20110034454-A1 MORPHOLINO PYRIMIDINE DERIVATIVES AND THEIR USE IN THERAPY ASTRAZENECA AB (SE) 2011-02-10 — — US disclosed
US-20110034454-A1 MORPHOLINO PYRIMIDINE DERIVATIVES AND THEIR USE IN THERAPY ASTRAZENECA AB (SE) 2011-02-10 — — US disclosed
US-20110034454-A1 MORPHOLINO PYRIMIDINE DERIVATIVES AND THEIR USE IN THERAPY ASTRAZENECA AB (SE) 2011-02-10 — — 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-20110034454-A1 MORPHOLINO PYRIMIDINE DERIVATIVES AND THEIR USE IN THERAPY TYMP, TYMS, PIK3CA ALDH1A1 3108/4885NPC1 2108/4885RAB9A 1367/4885

“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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