SCHEMBL10315974

SCHEMBL10315974

Cc1cc(-n2nc(N)cc2CCCOCc2ccccc2)ccn1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 8/20 0.46
▸ HRH4 Q9H3N8 1/20 0.36
▸ HRH3 Q9Y5N1 1/20 0.36
▸ KDM5A P29375 1/20 0.35
▸ KDM4C Q9H3R0 1/20 0.35
▸ L3MBTL1 Q9Y468 3/20 0.34
▸ TDP1 Q9NUW8 2/20 0.34
▸ RXRA P19793 2/20 0.33
▸ GRIN1 Q05586 2/20 0.33
▸ GRIN2B Q13224 2/20 0.33
▸ MPO P05164 2/20 0.32
▸ TPO P07202 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ CDC7 O00311 1/20 0.32

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
SCHEMBL10008684 0.79 MAPK1 (0.44) MAPK1MAPT
SCHEMBL10009645 0.77 MAPK1 (0.41) MAPK1
SCHEMBL10010156 0.77 SLC2A1 (0.44) MAPK1CYP3A4MAPT
SCHEMBL10009120 0.76 MAPK1 (0.40) MAPK1L3MBTL1TDP1MAPT
SCHEMBL10009969 0.76 MAPK1 (0.43) MAPK1
SCHEMBL10010435 0.74 KDR (0.41) MAPK1L3MBTL1TDP1MAPT
SCHEMBL10315973 0.71 MAPK1 (0.38) MAPK1L3MBTL1TDP1RXRAGRIN1
SCHEMBL10008965 0.68 MAPK1 (0.42) MAPK1MAPT
SCHEMBL10966340 0.67 HRH4 (0.45) HRH4HRH3L3MBTL1TDP1MPO
SCHEMBL8186168 0.66 L3MBTL1 (0.50) HRH4HRH3L3MBTL1TDP1MAPT

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 1404/4885HRH4 71/4885HRH3 122/4885

“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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