SCHEMBL13815652

SCHEMBL13815652

CCOC(=O)N(C(C)=O)c1cc(N2CCCCC2)nn1C(=O)OC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 4/20 0.40
▸ RAB9A P51151 4/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ KDM4E B2RXH2 2/20 0.38
▸ RXFP1 Q9HBX9 1/20 0.38
▸ DGAT1 O75907 3/20 0.36
▸ SOAT1 P35610 2/20 0.36
▸ LMNA P02545 3/20 0.34
▸ MAPT P10636 4/20 0.33
▸ L3MBTL1 Q9Y468 2/20 0.33
▸ TP53 P04637 2/20 0.33
▸ CASP3 P42574 1/20 0.33
▸ SENP8 Q96LD8 1/20 0.33
▸ SENP7 Q9BQF6 1/20 0.33
▸ SENP6 Q9GZR1 1/20 0.33
▸ ADORA2A P29274 1/20 0.33
▸ ADORA1 P30542 1/20 0.33
▸ ALDH1A1 P00352 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ GAA P10253 1/20 0.32

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
SCHEMBL13815653 0.73 KMT2A (0.39) NPC1RAB9AKMT2AKDM4ERXFP1
SCHEMBL13815722 0.73 SMN1; SMN2 (0.42) NPC1RAB9AKMT2AKDM4ELMNA
SCHEMBL13815632 0.72 F2 (0.38) ALDH1A1HSD17B10
SCHEMBL13896430 0.70 ADORA2A (0.37) NPC1RAB9AKMT2ALMNAMAPT
SCHEMBL20548019 0.59 KMT2A (0.56) NPC1RAB9AKMT2AKDM4ERXFP1
SCHEMBL7469230 0.59 P2RY12 (0.63) NPC1RAB9AKMT2AKDM4ERXFP1
SCHEMBL8690515 0.57 ALDH1A1 (0.35) NPC1RAB9AKMT2ALMNAMAPT
SCHEMBL2820792 0.57 P2RY12 (0.64) NPC1RAB9AKMT2AKDM4ERXFP1
SCHEMBL31547627 0.57 KMT2A (0.53) NPC1RAB9AKMT2AKDM4ERXFP1
SCHEMBL21875248 0.56 CYP1A2 (0.62) NPC1RAB9AKMT2AKDM4ERXFP1

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 NPC1 540/4885RAB9A 2331/4885KMT2A 4323/4885

“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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