SCHEMBL2229019

SCHEMBL2229019

COCc1nn(-c2cccc(C(F)(F)F)c2)c(C)c1C(=O)N1CCC(N2CCCC2)CC1c1c(COC)nn(-c2cccc(C(F)(F)F)c2)c1C

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 6/20 0.40
TRPV4 Q9HBA0 1/20 0.39
POLB P06746 2/20 0.39
IRAK4 Q9NWZ3 1/20 0.37
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 2/20 0.36
HSP90AA1 P07900 1/20 0.36
ALOX15 P16050 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL2200782 0.86 IRAK4 (0.44) POLBIRAK4KMT2AMEN1ALDH1A1
SCHEMBL2230182 0.85 TACR1 (0.42) TACR1POLBIRAK4KMT2AMEN1
SCHEMBL2198771 0.78 KMT2A (0.44) POLBIRAK4KMT2AMEN1ALDH1A1
SCHEMBL2231585 0.77 TACR1 (0.40) TACR1KMT2A
SCHEMBL2199984 0.75 POLB (0.52) POLBKMT2AMEN1
SCHEMBL2197562 0.74 MAPT (0.49) POLBKMT2AMEN1ALDH1A1
SCHEMBL2227154 0.73 FFAR4 (0.38) TACR1
SCHEMBL2198980 0.73 IRAK4 (0.45) POLBIRAK4KMT2AMEN1ALDH1A1
SCHEMBL2201747 0.73 KMT2A (0.47) POLBIRAK4KMT2AMEN1ALDH1A1
SCHEMBL2203232 0.73 ALDH1A1 (0.46) POLBIRAK4KMT2AMEN1ALDH1A1

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 2 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
US-20090029963-A1 PYRAZOL DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-01-29 US 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 TACR1 334/4885TRPV4 173/4885POLB 4350/4885

“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.