SCHEMBL2227154

SCHEMBL2227154

COc1ccc(C(F)(F)F)cc1-n1nc(C)c(C(=O)N2CCC(N3CCCC3)CC2c2c(C)nn(-c3cc(C(F)(F)F)ccc3OC)c2C)c1C

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 1/20 0.38
TACR1 P25103 11/20 0.37
NR1I2 O75469 2/20 0.37
ROCK2 O75116 1/20 0.36
ERAP1 Q9NZ08 4/20 0.36
ERAP2 Q6P179 2/20 0.36
UGCG Q16739 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
SCHEMBL2201663 0.85 TACR1 (0.42) FFAR4TACR1NR1I2ERAP1ERAP2
SCHEMBL2231585 0.85 TACR1 (0.40) TACR1
SCHEMBL2227703 0.79 UGCG (0.39) TACR1UGCG
SCHEMBL2230182 0.74 TACR1 (0.42) TACR1
Hydrochloric Acid SCHEMBL2227825 0.74 KMT2A (0.39) TACR1
SCHEMBL2229019 0.73 TACR1 (0.40) TACR1
SCHEMBL2200565 0.73 LMNA (0.48) FFAR4NR1I2ERAP1ERAP2
SCHEMBL2201414 0.72 L3MBTL3 (0.42)
SCHEMBL2201064 0.72 PDE4D (0.54) NR1I2
SCHEMBL2201418 0.69 KMT2A (0.49) TACR1

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 FFAR4 511/4885TACR1 334/4885NR1I2 29/4885

“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.