Sugi Predict

Sugi Predict / Compounds / SCHEMBL2929304

SCHEMBL2929304

SCHEMBL2929304

O=C(O)c1cc2nc(N[C@H]3C[C@H]4CC[C@H]3C4)[nH]c2cc1N1CCNCC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH4 Q9H3N8 3/20 0.45
▸ SIGMAR1 Q99720 1/20 0.39
▸ OPRL1 P41146 3/20 0.38
▸ OPRK1 P41145 1/20 0.33
▸ JAK2 O60674 1/20 0.33
▸ JAK1 P23458 1/20 0.33
▸ JAK3 P52333 1/20 0.33
▸ ALDH1A1 P00352 3/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ TOP2A P11388 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ TOP2B Q02880 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ HCRTR1 O43613 1/20 0.33
▸ HCRTR2 O43614 1/20 0.33
▸ CXCR1 P25024 1/20 0.33
▸ CXCR2 P25025 1/20 0.33

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 1.00 HRH4 (0.45) HRH4SIGMAR1OPRL1OPRK1JAK2
SCHEMBL2924535 1.00 HRH4 (0.45) HRH4SIGMAR1OPRL1OPRK1JAK2
SCHEMBL2932002 0.89 HRH4 (0.45) HRH4OPRK1JAK2JAK1JAK3
SCHEMBL13086201 0.81 LMNA (0.42) HRH4ALDH1A1KDM4ELMNAHPGD
SCHEMBL3610188 0.80 GABBR2 (0.41) JAK2JAK1JAK3LMNAPDGFRB
SCHEMBL2926642 0.80 GABBR2 (0.41) JAK2JAK1JAK3LMNAPDGFRB
SCHEMBL2929836 0.75 ALDH1A1 (0.36) JAK2JAK1JAK3ALDH1A1KDM4E
SCHEMBL2930483 0.74 TRPV1 (0.44) ALDH1A1KDM4ELMNACYP1A2CYP2C9
SCHEMBL2929163 0.73 RIPK1 (0.43) HRH4
SCHEMBL2926373 0.72 KDM4E (0.35) OPRL1ALDH1A1KDM4ELMNACYP1A2

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 2428/4885SIGMAR1 4764/4885OPRL1 4864/4885
US-20070219235-A1 Benzazole derivatives, compositions, and methods of use as aurora kinase inhibitors AURKC, AURKA, AURKB HRH4 2428/4885SIGMAR1 4764/4885OPRL1 4864/4885

“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.