SCHEMBL16825695

SCHEMBL16825695

CC(C)(C)OC(=O)N1CCN(c2nc(N)n[nH]2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAP4K4 O95819 1/20 0.46
▸ KCNH2 Q12809 1/20 0.44
▸ ACHE P22303 1/20 0.44
▸ TLR8 Q9NR97 1/20 0.43
▸ SMARCA2 P51531 1/20 0.43
▸ SMARCA4 P51532 1/20 0.43
▸ PBRM1 Q86U86 1/20 0.43
▸ CKS1B P61024 2/20 0.43
▸ SKP1 P63208 2/20 0.43
▸ SKP2 Q13309 2/20 0.43
▸ PTPN11 Q06124 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ KIT P10721 1/20 0.41
▸ NAMPT P43490 1/20 0.41
▸ USP2 O75604 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ ADORA2A P29274 1/20 0.41
▸ ADORA1 P30542 1/20 0.41

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
SCHEMBL18502919 0.76 CKS1B (0.46) MAP4K4KCNH2ACHECKS1BSKP1
SCHEMBL16846150 0.75 PARP1 (0.39) MAP4K4PARP1
SCHEMBL12615213 0.75 MAP4K4 (0.51) MAP4K4SMARCA2SMARCA4PBRM1CKS1B
SCHEMBL10297496 0.75 GPR119 (0.55) MAP4K4ACHECKS1BSKP1SKP2
SCHEMBL389759 0.73 ACHE (0.49) MAP4K4ACHECKS1BSKP1SKP2
SCHEMBL978369 0.73 MAP4K4 (0.46) MAP4K4TLR8SMARCA2SMARCA4PBRM1
SCHEMBL26090441 0.73 KCNH2 (0.44) MAP4K4KCNH2ACHESMARCA2SMARCA4
SCHEMBL16892019 0.72 PIK3CA (0.59) MAP4K4SMARCA2SMARCA4PBRM1CKS1B
SCHEMBL30797057 0.72 MAPT (0.47) MAP4K4ACHESMARCA2SMARCA4PBRM1
SCHEMBL20029227 0.72 MAPT (0.53) CKS1BSKP1SKP2ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3082805-B1 SUBSTITUTED AMINO TRIAZOLES, AND METHODS USING SAME INST FOR DRUG DISCOVERY LLC (US) 2020-02-05 — — EP disclosed
EP-3082805-B1 SUBSTITUTED AMINO TRIAZOLES, AND METHODS USING SAME INST FOR DRUG DISCOVERY LLC (US) 2020-02-05 — — EP disclosed
EP-3082805-A1 SUBSTITUTED AMINO TRIAZOLES, AND METHODS USING SAME The Institute For Drug Delivery (US) 2016-10-26 — — EP disclosed
US-20160297823-A1 SUBSTITUTED AMINO TRIAZOLES, AND METHODS USING SAME INSTITUTE FOR DRUG DISCOVERY, LLC 2016-10-13 — — US disclosed
US-20160297823-A1 SUBSTITUTED AMINO TRIAZOLES, AND METHODS USING SAME INSTITUTE FOR DRUG DISCOVERY, LLC 2016-10-13 — — US disclosed
US-20160297823-A1 SUBSTITUTED AMINO TRIAZOLES, AND METHODS USING SAME INSTITUTE FOR DRUG DISCOVERY, LLC 2016-10-13 — — US disclosed
WO-2015095701-A1 SUBSTITUTED AMINO TRIAZOLES, AND METHODS USING SAME THE INSTITUTE FOR DRUG DELIVERY (US) 2015-06-25 — — WO disclosed
WO-2015095701-A1 SUBSTITUTED AMINO TRIAZOLES, AND METHODS USING SAME THE INSTITUTE FOR DRUG DELIVERY (US) 2015-06-25 — — 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 (1 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-20160297823-A1 SUBSTITUTED AMINO TRIAZOLES, AND METHODS USING SAME CMA1, CHIA, AADAC MAP4K4 3538/4885KCNH2 3532/4885ACHE 260/4885

“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.

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