SCHEMBL2932002

SCHEMBL2932002

CN1CCN(c2cc3[nH]c(N[C@H]4C[C@@H]5CC[C@H]4C5)nc3cc2C(=O)O)CC1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 8/20 0.45
OPRK1 P41145 2/20 0.35
PDGFRB P09619 3/20 0.33
PDGFRA P16234 3/20 0.33
ALDH1A1 P00352 2/20 0.33
MAPT P10636 1/20 0.33
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
JAK3 P52333 1/20 0.33
IRAK4 Q9NWZ3 1/20 0.33
KCNH2 Q12809 2/20 0.33
GABBR2 O75899 1/20 0.32
GABBR1 Q9UBS5 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
SCHEMBL3650200 0.89 HRH4 (0.45) HRH4OPRK1PDGFRBPDGFRAALDH1A1
SCHEMBL2924535 0.89 HRH4 (0.45) HRH4OPRK1PDGFRBPDGFRAALDH1A1
SCHEMBL2929304 0.89 HRH4 (0.45) HRH4OPRK1PDGFRBPDGFRAALDH1A1
SCHEMBL2929163 0.84 RIPK1 (0.43) HRH4
SCHEMBL2924925 0.80 HRH4 (0.37) HRH4KCNH2
SCHEMBL3610188 0.79 GABBR2 (0.41) PDGFRBPDGFRAJAK2JAK1JAK3
SCHEMBL2926642 0.79 GABBR2 (0.41) PDGFRBPDGFRAJAK2JAK1JAK3
SCHEMBL2931481 0.77 HRH4 (0.43) HRH4
SCHEMBL2929836 0.77 ALDH1A1 (0.36) PDGFRBPDGFRAALDH1A1MAPTJAK2
SCHEMBL2934338 0.75 HRH4 (0.39) HRH4MAPTKCNH2

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 4 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
US-20070219235-A1 Benzazole derivatives, compositions, and methods of use as aurora kinase inhibitors VTVX HOLDINGS I LLC 2007-09-20 US 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 HRH4 2428/4885OPRK1 4257/4885PDGFRB 1337/4885
US-20070219235-A1 Benzazole derivatives, compositions, and methods of use as aurora kinase inhibitors AURKC, AURKA, AURKB HRH4 2428/4885OPRK1 4257/4885PDGFRB 1337/4885

“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.