SCHEMBL2197641

SCHEMBL2197641

CCOC(=O)c1n[nH]c(-c2cccc(Br)c2)c1C

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 3/20 0.51
PTGES O14684 1/20 0.51
CYP19A1 P11511 3/20 0.47
KDM4E B2RXH2 1/20 0.47
POLB P06746 1/20 0.46
CACNA1F O60840 1/20 0.46
ABCB1 P08183 1/20 0.46
CACNA1D Q01668 1/20 0.46
CACNA1S Q13698 1/20 0.46
CACNA1C Q13936 1/20 0.46
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
MAPT P10636 1/20 0.44
TARBP2 Q15633 1/20 0.43
ELANE P08246 3/20 0.43
HPGDS O60760 1/20 0.43
ALDH1A1 P00352 1/20 0.41
HSD17B10 Q99714 1/20 0.41
APOBEC3G Q9HC16 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
SCHEMBL6852749 0.84 KDM4E (0.57) CYP19A1KDM4EPOLBNPC1RAB9A
SCHEMBL2198685 0.83 IKBKB (0.43) KDM4ENPC1RAB9AMAPTALDH1A1
SCHEMBL17633566 0.82 IKBKB (0.54) ALOX5PTGESCYP19A1KDM4EPOLB
SCHEMBL14152405 0.82 TLR8 (0.47) KDM4EPOLBHPGDS
SCHEMBL8364844 0.78 ALPL (0.46) ALOX5PTGESKDM4EPOLBNPC1
SCHEMBL4744787 0.76 ALPL (0.56) ALOX5PTGESCYP19A1KDM4EPOLB
SCHEMBL16517422 0.76 NPC1 (0.47) ALOX5PTGESCYP19A1KDM4EPOLB
SCHEMBL30988464 0.76 KMT2A (0.57) ALOX5PTGESCYP19A1KDM4EPOLB
SCHEMBL29452680 0.76 KMT2A (0.57) ALOX5PTGESCYP19A1KDM4EPOLB
SCHEMBL4315066 0.75 ADORA2A (0.49) ALOX5PTGESCYP19A1KDM4ECACNA1F

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 4 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
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 ALOX5 2578/4885PTGES 1206/4885CYP19A1 3117/4885

“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.