SCHEMBL5376824

SCHEMBL5376824

O=C(N[C@@H]1C[C@H]2CCN(C2)C1)n1cc(-c2cccnc2)cn1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 7/20 0.42
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
JAK1 P23458 1/20 0.36
JAK3 P52333 1/20 0.36
USP30 Q70CQ3 2/20 0.36
KCNH2 Q12809 1/20 0.36
CYP46A1 Q9Y6A2 2/20 0.36
WNT1 P04628 2/20 0.35
DYRK1A Q13627 2/20 0.35

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
SCHEMBL5376826 1.00 CHRNA7 (0.42) CHRNA7CYP11B1CYP11B2JAK1JAK3
SCHEMBL5376655 0.95 CYP11B1 (0.38) CHRNA7CYP11B1CYP11B2JAK1JAK3
SCHEMBL5373093 0.89 CHRNA7 (0.46) CHRNA7JAK1JAK3USP30CYP46A1
SCHEMBL5373089 0.89 CHRNA7 (0.46) CHRNA7JAK1JAK3USP30CYP46A1
SCHEMBL5373457 0.84 CHRNA7 (0.48) CHRNA7USP30
SCHEMBL5382148 0.84 CHRNA7 (0.43) CHRNA7DYRK1A
SCHEMBL5382153 0.84 CHRNA7 (0.43) CHRNA7DYRK1A
SCHEMBL5373459 0.84 CHRNA7 (0.48) CHRNA7USP30
SCHEMBL5376323 0.84 CHRNA7 (0.43) CHRNA7JAK1JAK3KCNH2
SCHEMBL5376319 0.84 CHRNA7 (0.43) CHRNA7JAK1JAK3KCNH2

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-7176198-B2 1H-pyrazole and 1H-pyrrole-azabicyclic compounds for the treatment of disease PFIZER INC. (US) 2007-02-13 US claimed
US-20060116395-A1 1H-pyrazole and 1h-pyrole-azabicyclic compounds for the treatment of disease PFIZER INC 2006-06-01 US claimed
US-20040087616-A1 1H-pyrazole and 1H-pyrrole-azabicyclic compounds for the treatment of disease PIOTROWSKI DAVID W (US) 2004-05-06 US claimed
US-7176198-B2 1H-pyrazole and 1H-pyrrole-azabicyclic compounds for the treatment of disease PFIZER INC. (US) 2007-02-13 US disclosed
US-20060116395-A1 1H-pyrazole and 1h-pyrole-azabicyclic compounds for the treatment of disease PFIZER INC 2006-06-01 US disclosed
US-20040087616-A1 1H-pyrazole and 1H-pyrrole-azabicyclic compounds for the treatment of disease PIOTROWSKI DAVID W (US) 2004-05-06 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-20060116395-A1 1H-pyrazole and 1h-pyrole-azabicyclic compounds for the treatment of disease CYP7B1, P2RX7, CYP3A7 CHRNA7 8/4885CYP11B1 19/4885CYP11B2 34/4885
US-20040087616-A1 1H-pyrazole and 1H-pyrrole-azabicyclic compounds for the treatment of disease CYP1B1, TPMT, CYP7B1 CHRNA7 2586/4885CYP11B1 6/4885CYP11B2 10/4885

“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.