SCHEMBL10315973

SCHEMBL10315973

Cc1cc(N2N=C(N)CC2CCCOCc2ccccc2)ccn1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 4/20 0.38
▸ CDC7 O00311 2/20 0.37
▸ RXRA P19793 2/20 0.33
▸ GRIN1 Q05586 2/20 0.33
▸ GRIN2B Q13224 2/20 0.33
▸ APP P05067 1/20 0.33
▸ TAAR1 Q96RJ0 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.30
▸ L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL10315974 0.71 MAPK1 (0.46) MAPK1CDC7RXRAGRIN1GRIN2B
SCHEMBL10419333 0.67 SLC18A2 (0.43) TAAR1
SCHEMBL8277800 0.63 MAOB (0.43) CDC7TDP1L3MBTL1
SCHEMBL8279879 0.59 MAOB (0.44) TAAR1L3MBTL1
SCHEMBL6461426 0.59 L3MBTL1 (0.48) TDP1L3MBTL1
SCHEMBL31341937 0.59 DRD2 (0.41) —
SCHEMBL7719318 0.59 GRM2 (0.40) MAPK1TDP1L3MBTL1
SCHEMBL1563949 0.59 MAOB (0.54) —
SCHEMBL30346465 0.59 TSHR (0.48) TDP1L3MBTL1
SCHEMBL8186168 0.58 L3MBTL1 (0.50) TDP1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8791144-B2 Substituted N-phenyl-1-(4-Pyridinyl)-1H-pyrazol-3-amines JANSSEN PHARMACEUTICA NV (BE) 2014-07-29 — — US disclosed
US-20120172354-A1 Substituted N-Phenyl-1-(4-Pyridinyl)-1H-Pyrazol-3-Amines JANSSEN PHARMACEUTICA NV (BE) 2012-07-05 — — US disclosed
US-20120172354-A1 Substituted N-Phenyl-1-(4-Pyridinyl)-1H-Pyrazol-3-Amines JANSSEN PHARMACEUTICA NV (BE) 2012-07-05 — — US disclosed
WO-2011033018-A1 SUBSTITUTED N-PHENYL-1-(4-PYRIDINYL)-1H-PYRAZOL-3-AMINES JANSSEN PHARMACEUTICA NV (BE) 2011-03-24 — — 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-20120172354-A1 Substituted N-Phenyl-1-(4-Pyridinyl)-1H-Pyrazol-3-Amines CHRM1, CHRNA1, CHRM3 MAPK1 1404/4885CDC7 3208/4885RXRA 457/4885

“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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