SCHEMBL2928975

SCHEMBL2928975

Nc1ccc2c(OCCN3CCOCC3)n[nH]c2c1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ GRM4 Q14833 6/20 0.49
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ MAOA P21397 1/20 0.43
▸ KDM4E B2RXH2 2/20 0.43
▸ MAPT P10636 1/20 0.43
▸ ALDH1A1 P00352 2/20 0.41
▸ JAK2 O60674 1/20 0.41
▸ MAOB P27338 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ HIF1A Q16665 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ CHEK1 O14757 1/20 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
SCHEMBL15521007 0.91 GRM4 (0.49) GRM4MEN1KMT2AMAOAKDM4E
SCHEMBL3362693 0.83 MEN1 (0.56) GRM4MEN1KMT2AALDH1A1MAOB
SCHEMBL2924155 0.81 MAPT (0.48) GRM4MEN1KMT2AKDM4EMAPT
SCHEMBL1415081 0.77 GRM4 (0.46) GRM4MEN1KMT2AMAOAKDM4E
SCHEMBL11816831 0.77 KDM4E (0.50) MEN1KMT2AKDM4EALDH1A1LMNA
SCHEMBL2929620 0.76 CDC7 (0.50) KDM4EMAPTALDH1A1JAK2LMNA
SCHEMBL2932210 0.76 KDM4E (0.53) GRM4MEN1KMT2AKDM4EMAPT
SCHEMBL2931312 0.74 MELK (0.48) MEN1KMT2AKDM4EMAPTALDH1A1
SCHEMBL15516835 0.74 CNR2 (0.52) GRM4KMT2AKDM4EMAPTALDH1A1
SCHEMBL14204158 0.72 CA12 (0.65) KDM4EALDH1A1LMNATSHR

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 GRM4 4825/4885MEN1 895/4885KMT2A 948/4885
US-20070219235-A1 Benzazole derivatives, compositions, and methods of use as aurora kinase inhibitors AURKC, AURKA, AURKB GRM4 4825/4885MEN1 895/4885KMT2A 948/4885

“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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