SCHEMBL2929617

SCHEMBL2929617

NC(=O)n1nc(NCCN2CCOCC2)c2cc[c]cc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 3/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
LMNA P02545 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
POLB P06746 2/20 0.42
HTT P42858 2/20 0.42
HPGD P15428 1/20 0.42
NPY1R P25929 1/20 0.42
ACP1 P24666 1/20 0.40
TOP2A P11388 1/20 0.40
CSNK2A1 P68400 1/20 0.39
HSD17B10 Q99714 3/20 0.39
GAA P10253 1/20 0.39
CYP3A4 P08684 4/20 0.38
USP2 O75604 3/20 0.38
CYP1A2 P05177 3/20 0.38
CLK4 Q9HAZ1 2/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL2931311 0.94 ACP1 (0.41) ALDH1A1KDM4EKMT2ALMNASMN1; SMN2
SCHEMBL2932208 0.79 CNR2 (0.36) ALDH1A1KDM4EMEN1KMT2APOLB
SCHEMBL2931070 0.79 GRM4 (0.45) MEN1KMT2ASMN1; SMN2GAA
SCHEMBL2926072 0.73
SCHEMBL3842522 0.72 CYP1A2 (0.46) ALDH1A1KDM4EMEN1KMT2ALMNA
SCHEMBL2927180 0.71 MEN1 (0.33) KDM4EMEN1KMT2ALMNAHSD17B10
SCHEMBL2931949 0.69 GSK3B (0.40) KMT2A
SCHEMBL4228508 0.69 AURKA (0.39) ALDH1A1KDM4EPOLBHTTHPGD
SCHEMBL10996176 0.68 CYP3A4 (0.48) ALDH1A1KDM4EMEN1KMT2ALMNA
SCHEMBL4780872 0.68

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 ALDH1A1 3036/4885KDM4E 769/4885MEN1 895/4885
US-20070219235-A1 Benzazole derivatives, compositions, and methods of use as aurora kinase inhibitors AURKC, AURKA, AURKB ALDH1A1 3036/4885KDM4E 769/4885MEN1 895/4885

“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.