SCHEMBL3321969

SCHEMBL3321969

Cn1cc(-c2c[c]cc(C[C@H](N)CO)c2)cn1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LOXL2 Q9Y4K0 6/20 0.36
▸ LOXL3 P58215 2/20 0.36
▸ KCNH2 Q12809 2/20 0.36
▸ AOC3 Q16853 2/20 0.36
▸ CTSV O60911 1/20 0.35
▸ CTSL P07711 1/20 0.35
▸ CTSB P07858 1/20 0.35
▸ CTSS P25774 1/20 0.35
▸ PIM1 P11309 2/20 0.35
▸ PIM2 Q9P1W9 1/20 0.35
▸ MKNK1 Q9BUB5 1/20 0.34
▸ MKNK2 Q9HBH9 1/20 0.34
▸ CCNC P24863 2/20 0.34
▸ CDK8 P49336 2/20 0.34
▸ HDAC8 Q9BY41 2/20 0.34
▸ AURKA O14965 1/20 0.34
▸ TTK P33981 1/20 0.34
▸ AURKB Q96GD4 1/20 0.34
▸ INCENP Q9NQS7 1/20 0.34
▸ ACLY P53396 1/20 0.34

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
SCHEMBL14863738 0.81 CCNC (0.46) LOXL2KCNH2PIM1PIM2MKNK1
SCHEMBL14860265 0.81 CTSV (0.49) LOXL2KCNH2CTSVCTSLCTSB
SCHEMBL1570688 0.80 PRMT5 (0.39) LOXL2PIM1MKNK1MKNK2CCNC
SCHEMBL1570103 0.80 LOXL2 (0.36) LOXL2LOXL3KCNH2AOC3CTSV
SCHEMBL1866958 0.77 IRAK1 (0.38) LOXL2LOXL3KCNH2AOC3CTSV
SCHEMBL3321965 0.74 FGFR1 (0.38) LOXL2MKNK1MKNK2AURKATTK
SCHEMBL1570150 0.74 PIM1 (0.44) LOXL2LOXL3KCNH2AOC3CTSV
SCHEMBL1570267 0.72 PDK2 (0.47) LOXL2PIM1IRAK1IRAK4
SCHEMBL1570255 0.70 ACACB (0.41) LOXL2CTSVCTSLCTSBCTSS
SCHEMBL1864080 0.70 ACACB (0.41) LOXL2CTSVCTSLCTSBCTSS

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-20100216767-A1 QUINAZOLINES FOR PDK1 INHIBITION AIKAWA MINA 2010-08-26 — — US disclosed
US-20100121052-A1 Novel compounds for treating proliferative diseases JAIN RAMA 2010-05-13 — — 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-20100216767-A1 QUINAZOLINES FOR PDK1 INHIBITION PDK1, PDK2, PDK3 LOXL2 3930/4885LOXL3 4214/4885KCNH2 2509/4885
US-20100121052-A1 Novel compounds for treating proliferative diseases PDK1, PDK2, PDK3 LOXL2 3431/4885LOXL3 3845/4885KCNH2 3583/4885

“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.

Send feedback