Sugi Predict

Sugi Predict / Compounds / SCHEMBL3067458

SCHEMBL3067458

SCHEMBL3067458

CC(C)(C)OC(=O)N1CCN(C2=Nn3c(nnc3C(F)(F)F)CC2)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 2/20 0.50
▸ KCNH2 Q12809 1/20 0.50
▸ GPR119 Q8TDV5 5/20 0.39
▸ CYP8B1 Q9UNU6 1/20 0.38
▸ MAPT P10636 2/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ SMARCA2 P51531 1/20 0.37
▸ SMARCA4 P51532 1/20 0.37
▸ PBRM1 Q86U86 1/20 0.37
▸ HDAC4 P56524 1/20 0.37
▸ HTT P42858 2/20 0.37
▸ ATM Q13315 1/20 0.37
▸ CKS1B P61024 1/20 0.36
▸ SKP1 P63208 1/20 0.36
▸ SKP2 Q13309 1/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ PDK2 Q15119 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ MEN1 O00255 1/20 0.36

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
SCHEMBL3075158 0.83 AR (0.61) ARKCNH2MAPTLMNASMN1; SMN2
SCHEMBL3078457 0.79 AR (0.84) ARKCNH2GPR119CYP8B1
SCHEMBL3068556 0.78 AR (0.78) ARKCNH2GPR119
SCHEMBL3134930 0.73 CYP8B1 (0.54) CYP8B1PDK2
SCHEMBL10297496 0.69 GPR119 (0.55) GPR119MAPTALDH1A1LMNACKS1B
SCHEMBL24694593 0.68 CYP8B1 (0.42) GPR119CYP8B1MAPTHDAC4ATM
SCHEMBL2268416 0.68 HTT (0.59) ARKCNH2MAPTALDH1A1LMNA
SCHEMBL2268374 0.68 GPR119 (0.49) GPR119MAPTALDH1A1LMNAHTT
SCHEMBL16196893 0.68 HDAC4 (0.48) GPR119MAPTALDH1A1LMNASMARCA2
SCHEMBL5935898 0.68 PDK1 (0.45) KCNH2GPR119CYP8B1SMARCA2SMARCA4

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-20130203714-A1 CHEMICAL COMPOUNDS - 643 ASTRAZENECA R&D (SE) 2013-08-08 — — US disclosed
EP-2396333-B1 TRIAZOLO[4,3-B]PYRIDAZINE DERIVATIVES AND THEIR USES FOR PROSTATE CANCER ASTRAZENECA AB (SE) 2013-07-03 — — EP disclosed
US-8258140-B2 Chemical compounds—643 ASTRAZENECA AB (SE) 2012-09-04 — — US disclosed
EP-2396333-A1 TRIAZOLO [4,3-B]PYRIDAZINE DERIVATIVES AND THEIR USES FOR PROSTATE CANCER AstraZeneca AB (SE) 2011-12-21 — — EP disclosed
US-20100267699-A1 CHEMICAL COMPOUNDS - 643 ASTRAZENECA R&D 2010-10-21 — — US disclosed
WO-2010092371-A1 TRIAZOLO [4,3-B] PYRIDAZINE DERIVATIVES AND THEIR USES FOR PROSTATE CANCER ASTRAZENECA AB (SE) 2010-08-19 — — 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-20130203714-A1 CHEMICAL COMPOUNDS - 643 AR, KLK3, ESRRA AR 1/4885KCNH2 2070/4885GPR119 197/4885
US-20100267699-A1 CHEMICAL COMPOUNDS - 643 AR, KLK3, ESRRA AR 1/4885KCNH2 1878/4885GPR119 170/4885

“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.