SCHEMBL2201389

SCHEMBL2201389

Cc1nn(-c2cncc(C(F)(F)F)c2)c(C)c1C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.43
CYP11B2 P19099 9/20 0.43
CYP11B1 P15538 7/20 0.43
CYP2C9 P11712 5/20 0.43
CYP19A1 P11511 4/20 0.43
POLB P06746 1/20 0.39
ALKBH1 Q13686 1/20 0.39
MAPT P10636 1/20 0.39
RAB9A P51151 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
PDE4D Q08499 1/20 0.39
SCN2B O60939 2/20 0.38
SCN1A P35498 2/20 0.38
SCN1B Q07699 2/20 0.38
SCN5A Q14524 2/20 0.38
SCN9A Q15858 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 1/20 0.38

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
SCHEMBL2199926 0.84 PDE4D (0.57) MAPTRAB9APDE4D
SCHEMBL2202029 0.82 POLB (0.59) POLBMAPTRAB9ANPSR1MEN1
SCHEMBL2202206 0.79 RAB9A (0.49) LMNAPOLBALKBH1MAPTRAB9A
SCHEMBL2198894 0.77 L3MBTL3 (0.44) MEN1KMT2A
SCHEMBL13973771 0.77 SCN9A (0.42) CYP11B2CYP11B1CYP2C9CYP19A1SCN9A
SCHEMBL3277283 0.74 MAPT (0.54) LMNACYP2C9ALKBH1MAPTRAB9A
SCHEMBL2203140 0.74 ALKBH5 (0.49) LMNACYP2C9POLBMAPTRAB9A
SCHEMBL2938583 0.70 MEN1 (0.69) CYP2C9POLBMAPTRAB9ANPSR1
SCHEMBL2200696 0.70 POLB (0.58) POLBMEN1KMT2A
SCHEMBL2200565 0.70 LMNA (0.48) LMNAALKBH1SCN9AMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7977358-B2 Pyrazol derivatives HOFFMANN-LA ROCHE INC. (US) 2011-07-12 US disclosed
CN-101765430-A Novel pyrazole derivatives HOFFMANN LA ROCHE 2010-06-30 CN disclosed
EP-2182953-A2 NEW PYRAZOL DERIVATIVES F. Hoffmann-Roche AG (CH) 2010-05-12 EP disclosed
US-20090029963-A1 PYRAZOL DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-01-29 US disclosed
WO-2009013211-A2 NEW PYRAZOL DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-01-29 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-20090029963-A1 PYRAZOL DERIVATIVES CCR1, CCR3, CCRL2 LMNA 4701/4885CYP11B2 507/4885CYP11B1 1022/4885

“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.