SCHEMBL2203140

SCHEMBL2203140

Cc1ccc(-n2nc(C)c(C(=O)O)c2C)cc1C(F)(F)F

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALKBH5 Q6P6C2 1/20 0.49
▸ AR P10275 2/20 0.48
▸ LMNA P02545 2/20 0.46
▸ PDE4D Q08499 3/20 0.44
▸ CYP1A2 P05177 2/20 0.44
▸ CYP2C19 P33261 2/20 0.44
▸ POLB P06746 2/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ ALDH1A1 P00352 2/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ MAPT P10636 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ NOTUM Q6P988 1/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ PAX8 Q06710 1/20 0.41

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
SCHEMBL2199963 0.85 PDE4D (0.62) PDE4DL3MBTL1ALDH1A1RAB9ANPC1
SCHEMBL2202029 0.79 POLB (0.59) POLBRAB9AMAPTNPSR1MEN1
SCHEMBL2203254 0.77 L3MBTL3 (0.46) L3MBTL1ALDH1A1MEN1KMT2A
SCHEMBL2857382 0.76 LMNA (0.53) LMNAPDE4DCYP1A2CYP2C19POLB
SCHEMBL2201331 0.75 LMNA (0.60) ARLMNAPOLBTDP1L3MBTL1
SCHEMBL2203149 0.75 ALDH1A1 (0.55) LMNAPDE4DCYP1A2CYP2C19POLB
SCHEMBL2200191 0.74 RAB9A (0.57) LMNAPDE4DCYP1A2CYP2C19L3MBTL1
SCHEMBL2201389 0.74 LMNA (0.43) LMNAPDE4DCYP1A2CYP2C19POLB
SCHEMBL2938583 0.74 MEN1 (0.69) PDE4DCYP1A2CYP2C19POLBTDP1
SCHEMBL2202206 0.73 RAB9A (0.49) LMNAPDE4DPOLBALDH1A1RAB9A

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 ALKBH5 4546/4885AR 654/4885LMNA 4701/4885

“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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