SCHEMBL10010435

SCHEMBL10010435

COc1cc(Nc2cc(CCCOCc3ccccc3)n(-c3ccnc(C)c3)n2)cc(C(F)(F)F)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 1/20 0.41
▸ MAPK1 P28482 5/20 0.39
▸ CDK2 P24941 3/20 0.38
▸ GSK3B P49841 3/20 0.38
▸ CDK4 P11802 2/20 0.38
▸ SRC P12931 3/20 0.37
▸ ZAP70 P43403 3/20 0.37
▸ SYK P43405 3/20 0.37
▸ KDM4E B2RXH2 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ STK16 O75716 1/20 0.35
▸ CLK1 P49759 1/20 0.35
▸ CLK2 P49760 1/20 0.35
▸ CLK3 P49761 1/20 0.35
▸ CLK4 Q9HAZ1 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ PSEN1 P49768 1/20 0.34
▸ PSEN2 P49810 1/20 0.34
▸ APH1B Q8WW43 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
SCHEMBL10010076 0.92 KDR (0.44) KDRMAPK1CDK2GSK3BCDK4
SCHEMBL10010156 0.89 SLC2A1 (0.44) MAPK1GSK3BMAPTPSEN1PSEN2
SCHEMBL10009120 0.88 MAPK1 (0.40) KDRMAPK1MAPTTDP1L3MBTL1
SCHEMBL1506180 0.85 GSK3B (0.42) KDRMAPK1CDK2GSK3BCDK4
SCHEMBL1506197 0.82 SRC (0.46) KDRMAPK1CDK2GSK3BCDK4
SCHEMBL1506210 0.82 HDAC3 (0.41) KDRMAPK1CDK2GSK3BCDK4
SCHEMBL10008684 0.81 MAPK1 (0.44) MAPK1GSK3BKDM4EMAPT
SCHEMBL1506107 0.80 GSK3B (0.42) KDRMAPK1CDK2GSK3BCDK4
SCHEMBL10008700 0.80 SLC2A1 (0.46) KDRMAPK1GSK3BMAPTPSEN1
SCHEMBL10008625 0.79 MAPK1 (0.39) KDRMAPK1KDM4EMAPTL3MBTL1

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 7 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-8791144-B2 Substituted N-phenyl-1-(4-Pyridinyl)-1H-pyrazol-3-amines JANSSEN PHARMACEUTICA NV (BE) 2014-07-29 — — US disclosed
EP-2491024-B1 SUBSTITUTED N-PHENYL-1-(4-PYRIDINYL)-1H-PYRAZOL-3-AMINES JANSSEN PHARMACEUTICA NV (BE) 2013-11-20 — — EP 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
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 KDR 1162/4885MAPK1 1404/4885CDK2 1034/4885

“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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