SCHEMBL15877232

SCHEMBL15877232

CN(CC=O)C1CCOC1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 2/20 0.41
KDM4E B2RXH2 2/20 0.35
RAB9A P51151 2/20 0.35
LMNA P02545 2/20 0.35
GAA P10253 2/20 0.35
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
HSP90AA1 P07900 1/20 0.35
KMT2A Q03164 1/20 0.35
POLB P06746 1/20 0.34
HDAC1 Q13547 1/20 0.32
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL15724523 0.80 PIK3CD (0.33) PIK3CDKDM4ERAB9ALMNAGAA
SCHEMBL15724522 0.80 PIK3CD (0.33) PIK3CDKDM4ERAB9ALMNAGAA
SCHEMBL15171100 0.78 HTR2A (0.38) PIK3CDKDM4ERAB9ALMNAGAA
SCHEMBL15155901 0.78 HTR2A (0.38) PIK3CDKDM4ERAB9ALMNAGAA
SCHEMBL18677838 0.78 PIK3CD (0.36) PIK3CDKDM4ERAB9ALMNAGAA
SCHEMBL15156369 0.78 HTR2A (0.38) PIK3CDKDM4ERAB9ALMNAGAA
SCHEMBL15156084 0.78 HTR2A (0.38) PIK3CDKDM4ERAB9ALMNAGAA
SCHEMBL15709095 0.78 HTR2A (0.38) PIK3CDKDM4ERAB9ALMNAGAA
SCHEMBL15156366 0.78 HTR2A (0.38) PIK3CDKDM4ERAB9ALMNAGAA
SCHEMBL12326039 0.77

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-9371292-B2 Quinazoline derivative, preparation method therefor, intermediate, composition and application thereof SHANGHAI PHARMACEUTICALS HOLDINGS CO., LTD. (CN) 2016-06-21 US disclosed
US-20140206687-A1 QUINAZOLINE DERIVATIVE, PREPARATION METHOD THEREFOR, INTERMEDIATE, COMPOSITION AND APPLICATION THEREOF ZHEJIANG UNIVERSITY (CN) 2014-07-24 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-20140206687-A1 QUINAZOLINE DERIVATIVE, PREPARATION METHOD THEREFOR, INTERMEDIATE, COMPOSITION AND APPLICATION THEREOF WEE1, WEE2, CYP4F11 PIK3CD 1091/4885KDM4E 3971/4885RAB9A 1867/4885

“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.