SCHEMBL13388309

SCHEMBL13388309

CC(C)(C)OC(=O)N1CCCC1c1ccc(C=O)nc1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 5/20 0.43
▸ ALDH1A1 P00352 4/20 0.43
▸ LMNA P02545 4/20 0.43
▸ MEN1 O00255 3/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ L3MBTL1 Q9Y468 3/20 0.43
▸ RIPK1 Q13546 1/20 0.41
▸ NPC1 O15118 2/20 0.41
▸ NPSR1 Q6W5P4 3/20 0.41
▸ MAPT P10636 2/20 0.41
▸ HTT P42858 1/20 0.41
▸ UCHL1 P09936 1/20 0.41
▸ GRM5 P41594 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ RAB9A P51151 1/20 0.40

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
SCHEMBL30620837 0.83 ALOX5AP (0.46) TSHRALDH1A1LMNAMEN1KMT2A
SCHEMBL24493477 0.83 TSHR (0.46) TSHRALDH1A1LMNAMEN1KMT2A
SCHEMBL6198987 0.82 RIPK1 (0.49) TSHRALDH1A1LMNAMEN1KMT2A
SCHEMBL18406187 0.81 HRH3 (0.44) TSHRALDH1A1LMNAMEN1KMT2A
SCHEMBL23530227 0.81 ALDH1A1 (0.45) TSHRALDH1A1LMNAMEN1KMT2A
SCHEMBL30006360 0.81 ALDH1A1 (0.45) TSHRALDH1A1LMNAMEN1KMT2A
SCHEMBL18409943 0.81 ALDH1A1 (0.44) TSHRALDH1A1LMNAMEN1KMT2A
SCHEMBL22322274 0.80 DDB1 (0.58) MEN1KMT2ANPSR1MAPTHSD17B10
SCHEMBL30476145 0.80 ALOX5AP (0.43) TSHRALDH1A1LMNAMEN1KMT2A
SCHEMBL30541398 0.80 TSHR (0.43) TSHRALDH1A1LMNAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2699569-B1 AMINOPYRIMIDINE KINASE INHIBITORS JASCO PHARMACEUTICALS LLC (US) 2017-08-30 — — EP disclosed
US-8901145-B2 Aminopyrimidine kinase inhibitors Jasco Pharmaceuticals, LLC (US) 2014-12-02 — — US disclosed
EP-2699569-A2 AMINOPYRIMIDINE KINASE INHIBITORS Jasco Pharmaceuticals LLC (US) 2014-02-26 — — EP disclosed
WO-2012145617-A9 AMINOPYRIMIDINE KINASE INHIBITORS Jasco Pharmaceuticals, LLC (US) 2014-02-20 — — WO disclosed
WO-2012145617-A2 AMINOPYRIMIDINE KINASE INHIBITORS Jasco Pharmaceuticals, LLC (US) 2012-10-26 — — WO disclosed
US-20120270892-A1 Aminopyrimidine Kinase Inhibitors Jasco Pharmaceuticals, LLC (US) 2012-10-25 — — 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-20120270892-A1 Aminopyrimidine Kinase Inhibitors PIM1, PIM2, PIM3 TSHR 4418/4885ALDH1A1 3305/4885LMNA 4054/4885

“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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