SCHEMBL2929620

SCHEMBL2929620

Nc1ccc2c(NCCN3CCOCC3)n[nH]c2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDC7 O00311 1/20 0.50
▸ MAPK1 P28482 1/20 0.49
▸ ILK Q13418 1/20 0.48
▸ KDM4E B2RXH2 5/20 0.45
▸ HSD17B10 Q99714 2/20 0.45
▸ GAA P10253 1/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ HTT P42858 1/20 0.44
▸ POLB P06746 1/20 0.44
▸ KIT P10721 1/20 0.44
▸ FLT3 P36888 1/20 0.44
▸ JAK2 O60674 1/20 0.44
▸ TOP2A P11388 1/20 0.44
▸ MAPT P10636 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ ACHE P22303 2/20 0.43
▸ CYP3A4 P08684 3/20 0.42
▸ LMNA P02545 2/20 0.42
▸ CYP1A2 P05177 2/20 0.42
▸ CYP2D6 P10635 2/20 0.42

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
SCHEMBL2931312 0.93 MELK (0.48) CDC7MAPK1ILKKDM4EHSD17B10
SCHEMBL10368879 0.83 CDC7 (0.61) CDC7MAPK1ILKKDM4EHSD17B10
SCHEMBL2931491 0.81 MAPT (0.51) CDC7MAPK1KDM4EHSD17B10GAA
SCHEMBL4298327 0.79 CDC7 (0.57) CDC7MAPK1ILKKDM4EHSD17B10
SCHEMBL4784106 0.78 GSK3B (0.51) CDC7ILKKDM4EHSD17B10POLB
SCHEMBL32690157 0.78 MAPK1 (0.54) CDC7MAPK1KDM4EHSD17B10GAA
SCHEMBL30804510 0.77 CDC7 (0.51) CDC7MAPK1ILKKDM4EHSD17B10
SCHEMBL2928975 0.76 GRM4 (0.49) KDM4EJAK2MAPTTSHRLMNA
SCHEMBL2932210 0.76 KDM4E (0.53) KDM4EHSD17B10JAK2MAPTALDH1A1
SCHEMBL10367734 0.76 KDM4E (0.57) CDC7MAPK1KDM4EHSD17B10GAA

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 CDC7 15/4885MAPK1 1145/4885ILK 857/4885
US-20070219235-A1 Benzazole derivatives, compositions, and methods of use as aurora kinase inhibitors AURKC, AURKA, AURKB CDC7 15/4885MAPK1 1145/4885ILK 857/4885

“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.

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