SCHEMBL19801142

SCHEMBL19801142

CSC(C)c1ccnc(SCC(C)(C)C)n1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.39
ALOX15 P16050 1/20 0.35
KMT2A Q03164 1/20 0.34
DUSP10 Q9Y6W6 2/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MAPK9 P45984 1/20 0.32
MAPK10 P53779 1/20 0.32
ALDH1A1 P00352 2/20 0.31
KDM4E B2RXH2 1/20 0.31
EGFR P00533 1/20 0.30

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
SCHEMBL18431492 0.86 L3MBTL1 (0.38) L3MBTL1ALOX15KMT2ADUSP10MAPK9
SCHEMBL18431830 0.81 L3MBTL1 (0.40) L3MBTL1ALOX15KMT2ANPC1RAB9A
SCHEMBL23767706 0.72
SCHEMBL12263926 0.72 ALDH1A1 (0.38) L3MBTL1ALOX15KMT2ADUSP10NPC1
SCHEMBL12656591 0.71 ALOX15 (0.35) L3MBTL1ALOX15KMT2ADUSP10ALDH1A1
SCHEMBL12933370 0.70 HDAC3 (0.40) L3MBTL1ALOX15KMT2ADUSP10SMN1; SMN2
SCHEMBL18470067 0.70
SCHEMBL24285815 0.68 MAPK9 (0.35) L3MBTL1MAPK9MAPK10
SCHEMBL19503784 0.66 MAPK9 (0.40) L3MBTL1RAB9AMAPK9MAPK10
SCHEMBL18737447 0.65

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-10189794-B2 Heteroaryl compounds and uses thereof CELGENE CAR LLC (BM) 2019-01-29 US disclosed
US-20180022713-A1 HETEROARYL COMPOUNDS AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY 2018-01-25 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 (2 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-10189794-B2 Heteroaryl compounds and uses thereof ABCG2, CYP3A43, CYP3A5 L3MBTL1 3899/4885ALOX15 979/4885KMT2A 3318/4885
US-20180022713-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 L3MBTL1 3899/4885ALOX15 979/4885KMT2A 3318/4885

“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.