SCHEMBL13086177

SCHEMBL13086177

O=C(Nc1ccc2cn[nH]c2c1)c1ccc2nc(Nc3ccccc3C3CCCCC3)[nH]c2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 7/20 0.48
MAP4K4 O95819 1/20 0.46
CLK2 P49760 1/20 0.46
DYRK1A Q13627 1/20 0.46
SRPK1 Q96SB4 1/20 0.46
CLK4 Q9HAZ1 1/20 0.46
NPC1 O15118 4/20 0.46
RAB9A P51151 4/20 0.46
ALDH1A1 P00352 3/20 0.46
MEN1 O00255 2/20 0.46
MAPT P10636 2/20 0.46
KMT2A Q03164 2/20 0.46
LMNA P02545 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.43
HPGD P15428 2/20 0.43
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
JAK2 O60674 1/20 0.41
TRPV1 Q8NER1 2/20 0.41

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
SCHEMBL14452409 0.83 DGAT1 (0.41) ALDH1A1MEN1MAPTKMT2ALMNA
SCHEMBL13085976 0.81 MAOB (0.51) MAOBMAP4K4CLK2DYRK1ASRPK1
SCHEMBL2927046 0.80 AKR1C3 (0.47) NPC1RAB9AALDH1A1LMNANPSR1
SCHEMBL13086165 0.76 KDM4E (0.56) MAOBMAP4K4CLK2DYRK1ASRPK1
SCHEMBL14693552 0.75 MAOB (0.51) MAOBMAP4K4CLK2DYRK1ASRPK1
SCHEMBL13086038 0.74 MAOB (0.52) MAOBMAP4K4CLK2DYRK1ASRPK1
SCHEMBL5133862 0.72 MAOB (0.49) MAOBMAP4K4CLK2DYRK1ASRPK1
SCHEMBL13085973 0.71 MAOB (0.47) MAOBMAP4K4CLK2DYRK1ASRPK1
SCHEMBL1248584 0.70 DGAT1 (0.73) MAOBMAP4K4CLK2DYRK1ASRPK1
SCHEMBL15277719 0.69 MAP4K4 (0.49) MAOBMAP4K4CLK2DYRK1ASRPK1

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 8 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-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-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-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
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 MAOB 2703/4885MAP4K4 434/4885CLK2 293/4885
US-20070219235-A1 Benzazole derivatives, compositions, and methods of use as aurora kinase inhibitors AURKC, AURKA, AURKB MAOB 2703/4885MAP4K4 434/4885CLK2 293/4885

“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.