SCHEMBL2230182

SCHEMBL2230182

Cc1c(C(=O)N2CCC(N3CCCC3)CC2c2c(C(F)(F)F)nn(-c3cccc(C(F)(F)F)c3)c2C)c(C(F)(F)F)nn1-c1cccc(C(F)(F)F)c1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 6/20 0.42
POLB P06746 2/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.38
NPY2R P49146 1/20 0.37
IRAK4 Q9NWZ3 1/20 0.37

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
SCHEMBL2229019 0.85 TACR1 (0.40) TACR1POLBKMT2AMEN1ALDH1A1
SCHEMBL2203232 0.84 ALDH1A1 (0.46) POLBKMT2AMEN1ALDH1A1LMNA
SCHEMBL2231585 0.80 TACR1 (0.40) TACR1KMT2A
SCHEMBL2201747 0.77 KMT2A (0.47) POLBKMT2AMEN1ALDH1A1LMNA
SCHEMBL2227703 0.77 UGCG (0.39) TACR1POLB
Hydrochloric Acid SCHEMBL2227825 0.76 KMT2A (0.39) TACR1KMT2A
SCHEMBL2201429 0.76 KMT2A (0.46) POLBKMT2AMEN1ALDH1A1LMNA
SCHEMBL2203666 0.75 KMT2A (0.41) TACR1POLBKMT2AMEN1ALDH1A1
SCHEMBL2203660 0.75 KMT2A (0.41) TACR1POLBKMT2AMEN1ALDH1A1
SCHEMBL2202095 0.75 KMT2A (0.41) TACR1POLBKMT2AMEN1ALDH1A1

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 334/4885POLB 4350/4885KMT2A 4057/4885

“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.