SCHEMBL2926007

SCHEMBL2926007

O=C(CBr)c1ccc2cn[nH]c2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.51
CTNNB1 P35222 5/20 0.51
WNT3A P56704 5/20 0.51
MAOB P27338 5/20 0.51
DYRK1A Q13627 3/20 0.50
NOS1 P29475 2/20 0.50
METAP2 P50579 1/20 0.50
MAP4K4 O95819 1/20 0.48
CLK2 P49760 1/20 0.48
SRPK1 Q96SB4 1/20 0.48
CLK4 Q9HAZ1 1/20 0.48
AR P10275 1/20 0.46
KDM4E B2RXH2 2/20 0.46
MAPT P10636 2/20 0.46
MEN1 O00255 1/20 0.46
PKM P14618 1/20 0.46
HTT P42858 1/20 0.46
KMT2A Q03164 1/20 0.46
ALDH1A1 P00352 1/20 0.46
FGFR1 P11362 1/20 0.45

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
SCHEMBL15059952 0.87 CTNNB1 (0.67) PTPN1CTNNB1WNT3AMAOBDYRK1A
SCHEMBL10155750 0.84 CTNNB1 (0.54) CTNNB1WNT3AMAOBDYRK1ANOS1
SCHEMBL29365815 0.80 ALDH1A1 (0.56) CTNNB1WNT3AMAOBDYRK1ANOS1
SCHEMBL260992 0.80 ALDH1A1 (0.56) CTNNB1WNT3AMAOBDYRK1ANOS1
SCHEMBL20187143 0.78 MAOB (0.58) MAOBDYRK1ANOS1METAP2MAP4K4
SCHEMBL2933207 0.78 MAPT (0.68) MAOBDYRK1ANOS1METAP2MAP4K4
SCHEMBL475069 0.78 AR (0.63) MAOBDYRK1ANOS1METAP2MAP4K4
Hydrochloric Acid SCHEMBL7001071 0.78 ALDH1A1 (0.55) CTNNB1WNT3AMAOBDYRK1ANOS1
SCHEMBL30194367 0.78 MAPT (0.68) MAOBDYRK1ANOS1METAP2MAP4K4
SCHEMBL7378385 0.78 MAOB (0.55) MAOBDYRK1ANOS1METAP2MAP4K4

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 6 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
EP-1987028-A2 BENZAZOLE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE AS AURORA KINASE INHIBITORS Transtech Pharma, Inc. (US) 2008-11-05 EP disclosed
US-20070219235-A1 Benzazole derivatives, compositions, and methods of use as aurora kinase inhibitors VTVX HOLDINGS I LLC 2007-09-20 US disclosed
WO-2007095124-A2 BENZAZOLE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE AS AURORA KINASE INHIBITORS TRANSTECH PHARMA, INC. (US) 2007-08-23 WO 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 PTPN1 2720/4885CTNNB1 1504/4885WNT3A 1960/4885
US-20070219235-A1 Benzazole derivatives, compositions, and methods of use as aurora kinase inhibitors AURKC, AURKA, AURKB PTPN1 2720/4885CTNNB1 1504/4885WNT3A 1960/4885

“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.