Sugi Predict

Sugi Predict / Compounds / SCHEMBL2923944

SCHEMBL2923944

SCHEMBL2923944

CN1CCN(c2cc3[nH]c(Nc4nccn4C4CCCC4)nc3cc2C(=O)O)CC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 3/20 0.35
▸ HRH4 Q9H3N8 1/20 0.34
▸ CSF1R P07333 2/20 0.33
▸ PTGES O14684 2/20 0.33
▸ AURKA O14965 2/20 0.33
▸ CDK1 P06493 2/20 0.33
▸ AURKB Q96GD4 1/20 0.33
▸ CDK4 P11802 2/20 0.33
▸ INSR P06213 1/20 0.33
▸ PDGFRB P09619 1/20 0.33
▸ SRC P12931 1/20 0.33
▸ PDGFRA P16234 1/20 0.33
▸ FLT1 P17948 1/20 0.33
▸ FLT4 P35916 1/20 0.33
▸ KDR P35968 1/20 0.33
▸ CDK7 P50613 1/20 0.33
▸ NTRK2 Q16620 1/20 0.33
▸ MAP4K1 Q92918 1/20 0.32
▸ RPS6KA2 Q15349 1/20 0.32
▸ CCNE2 O96020 1/20 0.32

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
SCHEMBL2931206 0.99 KCNH2 (0.35) KCNH2HRH4CSF1RPTGESAURKA
SCHEMBL2927890 0.98 KCNH2 (0.35) KCNH2HRH4CSF1RPTGESAURKA
SCHEMBL2930096 0.92 TBK1 (0.35) TBK1
SCHEMBL2925779 0.91 OPRL1 (0.38) KCNH2PTGESCDK4CCNE1CDK2
SCHEMBL2933096 0.91 KCNH2 (0.35) KCNH2HRH4PTGESRPS6KA2PIK3CD
SCHEMBL2926373 0.90 KDM4E (0.35) PTGESCDK4CDK2OPRL1TBK1
SCHEMBL2927230 0.90 PIK3CA (0.39) PIK3CDPIK3CBMTORTBK1
SCHEMBL2931516 0.86 KCNH2 (0.39) KCNH2HRH4PTGESKDRRPS6KA2
SCHEMBL2932436 0.85 MAP4K1 (0.36) KCNH2HRH4PTGESMAP4K1TBK1
SCHEMBL2932279 0.84 KCNH2 (0.37) KCNH2HRH4PTGESKDRRPS6KA2

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 KCNH2 1911/4885HRH4 2428/4885CSF1R 2641/4885
US-20070219235-A1 Benzazole derivatives, compositions, and methods of use as aurora kinase inhibitors AURKC, AURKA, AURKB KCNH2 1911/4885HRH4 2428/4885CSF1R 2641/4885

“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.