SCHEMBL2933172

SCHEMBL2933172

CC(C)c1ccccc1Nc1nc2cc([N+](=O)[O-])ccc2[nH]1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 5/20 0.53
CSNK1D P48730 2/20 0.46
CSNK1G2 P78368 2/20 0.46
MAPT P10636 6/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
IRAK4 Q9NWZ3 3/20 0.45
CDK9 P50750 2/20 0.45
DYRK3 O43781 1/20 0.45
ABL1 P00519 1/20 0.45
CDK1 P06493 1/20 0.45
CSF1R P07333 1/20 0.45
MET P08581 1/20 0.45
PDGFRB P09619 1/20 0.45
PHKG2 P15735 1/20 0.45
CDK2 P24941 1/20 0.45
MARK3 P27448 1/20 0.45
FLT4 P35916 1/20 0.45
KDR P35968 1/20 0.45
MAPK8 P45983 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
SCHEMBL14693663 0.79 GAA (0.61) MAPTMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL2927773 0.78 AKR1C3 (0.51) MAPTMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL7121251 0.78 RIPK1 (0.56) RIPK1CSNK1DCSNK1G2MAPTMEN1
SCHEMBL2930141 0.76 RAB9A (0.44) MAPTMEN1KMT2AIRAK4ABL1
SCHEMBL19329541 0.76 RIPK1 (0.54) RIPK1CSNK1DCSNK1G2MAPTMEN1
SCHEMBL2931072 0.75 SMN1; SMN2 (0.46) MAPTMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL4446981 0.75 NPC1 (0.59) RIPK1CSNK1DCSNK1G2MAPTMEN1
SCHEMBL271676 0.73 MEN1 (0.57) RIPK1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL2891699 0.72 RIPK1 (0.62) RIPK1CSNK1DCSNK1G2MAPTMEN1
SCHEMBL5226878 0.72 RIPK1 (0.62) RIPK1CSNK1DCSNK1G2MAPTMEN1

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 RIPK1 629/4885CSNK1D 439/4885CSNK1G2 244/4885
US-20070219235-A1 Benzazole derivatives, compositions, and methods of use as aurora kinase inhibitors AURKC, AURKA, AURKB RIPK1 629/4885CSNK1D 439/4885CSNK1G2 244/4885

“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.