SCHEMBL2931752

SCHEMBL2931752

Cc1cccnc1Nc1nc2cc(C(=O)O)c(N3CCCC3)cc2[nH]1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.39
GAA P10253 2/20 0.39
RAB9A P51151 3/20 0.39
MEN1 O00255 2/20 0.39
NPC1 O15118 2/20 0.39
KMT2A Q03164 2/20 0.39
MAPT P10636 1/20 0.39
SORT1 Q99523 1/20 0.39
DDX3X O00571 1/20 0.36
DHODH Q02127 3/20 0.36
PARP1 P09874 1/20 0.36
JAK2 O60674 1/20 0.36
HCRTR1 O43613 1/20 0.35
HCRTR2 O43614 1/20 0.35
MAPK8 P45983 1/20 0.35
CDC7 O00311 1/20 0.35
CLCN2 P51788 1/20 0.35
TRPV1 Q8NER1 1/20 0.35
USP2 O75604 1/20 0.35
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL2930571 0.93 OPRL1 (0.38) LMNAGAARAB9AMEN1NPC1
SCHEMBL2929641 0.93 KCNH2 (0.41) LMNAGAARAB9AMEN1NPC1
SCHEMBL2930795 0.93 PIK3CA (0.43) LMNAGAARAB9AMEN1NPC1
SCHEMBL2932302 0.92 F12 (0.38) LMNAGAARAB9AMEN1NPC1
SCHEMBL2926394 0.92 PRKCA (0.38) LMNAGAARAB9AMEN1NPC1
SCHEMBL2931431 0.92 PRKCQ (0.42) LMNAGAARAB9AMEN1NPC1
SCHEMBL2929442 0.81 GAA (0.41) LMNAGAARAB9AMEN1NPC1
SCHEMBL2924961 0.78 LMNA (0.39) LMNAGAARAB9AMEN1NPC1
SCHEMBL2929182 0.78 GAA (0.39) LMNAGAARAB9AMEN1NPC1
SCHEMBL2924905 0.77 ALDH1A1 (0.46) LMNARAB9AMEN1NPC1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8377983-B2 Benzazole derivatives, compositions, and methods of use as aurora kinase inhibitors TRANSTECH PHARMA, INC. (US) 2013-02-19 US disclosed
US-7820821-B2 Benzazole derivatives, compositions, and methods of use as aurora kinase inhibitors TRANSTECH PHARMA, INC. (US) 2010-10-26 US disclosed
US-20100152170-A1 Benzazole Derivatives, Compositions, And Methods Of Use As Aurora Kinase Inhibitors TRANSTECH PHARMA, INC. (US) 2010-06-17 US disclosed
US-20070219235-A1 Benzazole derivatives, compositions, and methods of use as aurora kinase inhibitors VTVX HOLDINGS I LLC 2007-09-20 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-20100152170-A1 Benzazole Derivatives, Compositions, And Methods Of Use As Aurora Kinase Inhibitors AURKC, AURKA, AURKB LMNA 1520/4885GAA 1732/4885RAB9A 3858/4885
US-20070219235-A1 Benzazole derivatives, compositions, and methods of use as aurora kinase inhibitors AURKC, AURKA, AURKB LMNA 1520/4885GAA 1732/4885RAB9A 3858/4885

“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.