SCHEMBL17996116

SCHEMBL17996116

CN1CCC(NC(=O)Cc2ccc(C(C)(C)C)cc2)CC1

nearest known ligand 0.72

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.55
▸ KCNH2 Q12809 1/20 0.55
▸ CACNA1I Q9P0X4 1/20 0.55
▸ SIGMAR1 Q99720 7/20 0.53
▸ MEN1 O00255 2/20 0.51
▸ KMT2A Q03164 2/20 0.51
▸ SLC6A5 Q9Y345 2/20 0.51
▸ LMNA P02545 1/20 0.50
▸ ALDH1A1 P00352 1/20 0.49
▸ TSHR P16473 1/20 0.48
▸ NPC1 O15118 1/20 0.48
▸ RAB9A P51151 1/20 0.48

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
SCHEMBL13657956 0.88 LMNA (0.63) L3MBTL1KCNH2CACNA1ISIGMAR1MEN1
SCHEMBL12074098 0.84 L3MBTL1 (0.75) L3MBTL1SIGMAR1MEN1KMT2ALMNA
SCHEMBL17450402 0.84 L3MBTL1 (0.63) L3MBTL1SIGMAR1MEN1KMT2ALMNA
SCHEMBL13847101 0.82 SIGMAR1 (0.72) SIGMAR1MEN1KMT2A
SCHEMBL12139819 0.81 MEN1 (0.67) MEN1KMT2ASLC6A5LMNAALDH1A1
SCHEMBL14924027 0.81 L3MBTL1 (0.55) L3MBTL1SIGMAR1MEN1KMT2ALMNA
SCHEMBL13621157 0.80 SIGMAR1 (0.66) L3MBTL1SIGMAR1MEN1KMT2ALMNA
SCHEMBL4070621 0.78 SIGMAR1 (0.69) L3MBTL1SIGMAR1LMNAALDH1A1
SCHEMBL18580208 0.75 L3MBTL1 (0.49) L3MBTL1SIGMAR1MEN1KMT2ALMNA
SCHEMBL7844706 0.74 ALDH1A1 (0.63) LMNAALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160229868-A1 NOVEL FUSED PYRIMIDINE DERIVATIVES FOR INHIBITION OF TYROSINE KINASE ACTIVITY HANMI SCIENCE CO., LTD (KR) 2016-08-11 — — 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-20160229868-A1 NOVEL FUSED PYRIMIDINE DERIVATIVES FOR INHIBITION OF TYROSINE KINASE ACTIVITY LCK, LTK, FYN L3MBTL1 2596/4885KCNH2 4108/4885CACNA1I 4835/4885

“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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