SCHEMBL13896430

SCHEMBL13896430

COC(=O)n1nc(N2CCCCC2)cc1NC(=O)CC(C)=O

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 2/20 0.37
▸ ADORA1 P30542 2/20 0.37
▸ NPC1 O15118 3/20 0.36
▸ RAB9A P51151 3/20 0.36
▸ TP53 P04637 2/20 0.36
▸ LMNA P02545 1/20 0.36
▸ CACNA1H O95180 3/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ MAPT P10636 5/20 0.35
▸ HTT P42858 2/20 0.34

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
SCHEMBL13896446 0.88 EGFR (0.40) ADORA2AADORA1RAB9ALMNAMEN1
SCHEMBL13815653 0.86 KMT2A (0.39) NPC1RAB9ATP53LMNAMEN1
SCHEMBL13815722 0.76 SMN1; SMN2 (0.42) ADORA2AADORA1NPC1RAB9ATP53
SCHEMBL13815652 0.70 NPC1 (0.40) ADORA2AADORA1NPC1RAB9ATP53
SCHEMBL13896445 0.68 F2 (0.46) LMNAMEN1ALDH1A1KMT2AMAPT
SCHEMBL18294025 0.64 HTT (0.75) NPC1RAB9ATP53LMNAMEN1
SCHEMBL13815624 0.63 PIK3CD (0.41) RAB9AMEN1ALDH1A1KMT2A
SCHEMBL10522910 0.62 ADORA2A (0.44) ADORA2AADORA1TP53MEN1ALDH1A1
SCHEMBL9621602 0.61 SMN1; SMN2 (0.57) ADORA2AADORA1LMNAMEN1ALDH1A1
SCHEMBL9621703 0.60 ADORA2A (0.44) ADORA2AADORA1TP53LMNAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8314098-B2 Pyrazolo-pyrimidine compounds AJINOMOTO CO., INC. (JP) 2012-11-20 — — US disclosed
US-20110294781-A1 PYRAZOLO-PYRIMIDINE COMPOUNDS AJINOMOTO CO., INC. (JP) 2011-12-01 — — 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-20110294781-A1 PYRAZOLO-PYRIMIDINE COMPOUNDS IL23R, IL2, IL17A ADORA2A 849/4885ADORA1 1551/4885NPC1 540/4885

“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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