SCHEMBL16825863

SCHEMBL16825863

NCC1CCN(c2nc(N)n[nH]2)CC1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ AKT2 P31751 3/20 0.41
▸ GSK3B P49841 1/20 0.38
▸ NCF1 P14598 1/20 0.37
▸ PDE10A Q9Y233 1/20 0.35
▸ ROCK2 O75116 2/20 0.34
▸ ROCK1 Q13464 2/20 0.34
▸ PTPN11 Q06124 2/20 0.34
▸ CDC42BPB Q9Y5S2 1/20 0.34
▸ PRKCQ Q04759 1/20 0.33
▸ DKK1 O94907 1/20 0.33
▸ CHEK1 O14757 1/20 0.33
▸ CHEK2 O96017 1/20 0.33
▸ PIM1 P11309 3/20 0.32
▸ PRMT5 O14744 1/20 0.32
▸ HRH4 Q9H3N8 1/20 0.32
▸ BPTF Q12830 1/20 0.31

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
SCHEMBL1993550 0.76 HRH4 (0.40) PIM1HRH4
SCHEMBL17853464 0.74 CYP1A2 (0.39) HRH4
SCHEMBL16825689 0.74 NEK2 (0.47) —
Hydrochloric Acid SCHEMBL16826300 0.73 NEK2 (0.46) —
SCHEMBL18135535 0.73 HRH4 (0.46) NCF1PIM1HRH4
Hydrochloric Acid SCHEMBL16825844 0.72 HRH4 (0.44) NCF1PIM1HRH4
SCHEMBL5175874 0.72 GAA (0.53) PIM1
SCHEMBL16825788 0.72 CHIT1 (0.47) —
SCHEMBL16825884 0.70 TSHR (0.50) ROCK2ROCK1PIM1
SCHEMBL17853355 0.68 CHIA (0.42) —

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 AKT2 4632/4885GSK3B 2099/4885NCF1 1350/4885

“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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