SCHEMBL5371640

SCHEMBL5371640

Cc1ccccc1-c1cnn(C(=O)N[C@@H]2C[C@H]3CCN(C3)C2)c1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 9/20 0.42
PAX8 Q06710 1/20 0.37
GRIN2B Q13224 1/20 0.36
RIPK2 O43353 5/20 0.35
USP30 Q70CQ3 1/20 0.34
JAK2 O60674 1/20 0.34
JAK1 P23458 1/20 0.34
TYK2 P29597 1/20 0.34
JAK3 P52333 1/20 0.34
KCNH2 Q12809 1/20 0.34

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
SCHEMBL5371644 1.00 CHRNA7 (0.42) CHRNA7PAX8GRIN2BRIPK2USP30
SCHEMBL5380099 0.95 CHRNA7 (0.38) CHRNA7PAX8GRIN2BRIPK2USP30
SCHEMBL5376687 0.88 CHRNA7 (0.40) CHRNA7USP30JAK3KCNH2
SCHEMBL5376692 0.88 CHRNA7 (0.40) CHRNA7USP30JAK3KCNH2
SCHEMBL5381877 0.88 CHRNA7 (0.47) CHRNA7RIPK2JAK2JAK1TYK2
SCHEMBL5367802 0.88 CHRNA7 (0.42) CHRNA7PAX8GRIN2BUSP30JAK2
SCHEMBL5381869 0.88 CHRNA7 (0.47) CHRNA7RIPK2JAK2JAK1TYK2
SCHEMBL5367798 0.88 CHRNA7 (0.42) CHRNA7PAX8GRIN2BUSP30JAK2
SCHEMBL5373089 0.86 CHRNA7 (0.46) CHRNA7USP30JAK2JAK1TYK2
SCHEMBL5373093 0.86 CHRNA7 (0.46) CHRNA7USP30JAK2JAK1TYK2

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 8/4885PAX8 1226/4885GRIN2B 290/4885
US-20040087616-A1 1H-pyrazole and 1H-pyrrole-azabicyclic compounds for the treatment of disease CYP1B1, TPMT, CYP7B1 CHRNA7 2586/4885PAX8 1771/4885GRIN2B 741/4885

“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.