Sugi Predict

Sugi Predict / Compounds / SCHEMBL10095059

SCHEMBL10095059

SCHEMBL10095059

CC(C)(C)OC(=O)N1CCn2c(nc(Br)c2-c2ccccc2)C1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CKS1B P61024 2/20 0.47
▸ SKP1 P63208 2/20 0.47
▸ SKP2 Q13309 2/20 0.47
▸ P2RX7 Q99572 2/20 0.46
▸ GBA1 P04062 2/20 0.44
▸ NR1H2 P55055 1/20 0.44
▸ MAPK1 P28482 1/20 0.42
▸ PDK2 Q15119 2/20 0.41
▸ KIT P10721 1/20 0.41
▸ GPR119 Q8TDV5 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ ACKR3 P25106 2/20 0.40
▸ LIPG Q9Y5X9 1/20 0.40
▸ JAK2 O60674 1/20 0.39
▸ JAK3 P52333 1/20 0.39

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
SCHEMBL13575666 0.87 CKS1B (0.48) CKS1BSKP1SKP2P2RX7GBA1
SCHEMBL10095061 0.86 CKS1B (0.47) CKS1BSKP1SKP2P2RX7GBA1
SCHEMBL10095062 0.84 P2RX7 (0.59) CKS1BSKP1SKP2P2RX7GBA1
SCHEMBL15779193 0.80 NR1H2 (0.45) CKS1BSKP1SKP2P2RX7NR1H2
SCHEMBL20157515 0.79 PDK2 (0.64) CKS1BSKP1SKP2P2RX7GBA1
SCHEMBL20139779 0.79 TSHR (0.62) NR1H2MAPK1TSHR
SCHEMBL23549885 0.78 P2RX7 (0.42) P2RX7NR1H2GPR119
SCHEMBL31029028 0.77 NR1H2 (0.44) CKS1BSKP1SKP2GBA1NR1H2
SCHEMBL27432553 0.77 NR1H2 (0.44) CKS1BSKP1SKP2GBA1NR1H2
SCHEMBL1173978 0.77 CKS1B (0.49) CKS1BSKP1SKP2GBA1NR1H2

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2303876-B1 DIKETO AZOLOPIPERIDINES AND AZOLOPIPERAZINES AS ANTI-HIV AGENTS BRISTOL MYERS SQUIBB CO (US) 2014-03-19 — — EP disclosed
US-8124615-B2 Diketo substituted pyrrolo[2,3-C]pyridines BRISTOL-MYERS SQUIBB COMPANY (US) 2012-02-28 — — US disclosed
US-8124615-B2 Diketo substituted pyrrolo[2,3-C]pyridines BRISTOL-MYERS SQUIBB COMPANY (US) 2012-02-28 — — US disclosed
US-20110212971-A1 DIKETO FUSED AZOLOPIPERIDINES AND AZOLOPIPERAZINES AS ANTI-HIV AGENTS BRISTOL-MYERS SQUIBB COMPANY 2011-09-01 — — US disclosed
US-20110212971-A1 DIKETO FUSED AZOLOPIPERIDINES AND AZOLOPIPERAZINES AS ANTI-HIV AGENTS BRISTOL-MYERS SQUIBB COMPANY 2011-09-01 — — US disclosed
US-7960406-B2 Diketo substituted pyrrolo[2,3-c] pyridines BRISTOL-MYERS SQUIBB COMPANY (US) 2011-06-14 — — US disclosed
US-20100009993-A1 Diketo Fused Azolopiperidines and Azolopiperazines as Anti-HIV Agents BRISTOL-MYERS SQUIBB COMPANY 2010-01-14 — — 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-20110212971-A1 DIKETO FUSED AZOLOPIPERIDINES AND AZOLOPIPERAZINES AS ANTI-HIV AGENTS DHFR, DHPS, DCK CKS1B 1161/4885SKP1 831/4885SKP2 1820/4885
US-20100009993-A1 Diketo Fused Azolopiperidines and Azolopiperazines as Anti-HIV Agents DHFR, DHPS, DCK CKS1B 1161/4885SKP1 831/4885SKP2 1820/4885

“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.