SCHEMBL4815757

SCHEMBL4815757

O=C1CCc2cc(Cn3cnnn3)ccc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.50
MAPK1 P28482 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
KCNJ1 P48048 2/20 0.47
KCNH2 Q12809 2/20 0.47
CYP1A2 P05177 2/20 0.45
MEN1 O00255 1/20 0.45
CYP2C9 P11712 1/20 0.45
KMT2A Q03164 1/20 0.45
ALDH1A1 P00352 1/20 0.41
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41
HSD17B10 Q99714 1/20 0.41
HSD17B1 P14061 3/20 0.40
HTR1A P08908 1/20 0.38
HTR2C P28335 1/20 0.38
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
HRH3 Q9Y5N1 3/20 0.36
GRM5 P41594 1/20 0.35

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
SCHEMBL4816833 0.82 CYP19A1 (0.47) KCNJ1KCNH2CYP1A2CASP1CASP7
SCHEMBL4817540 0.78 HTT (0.47) MAPK1CYP1A2MEN1KMT2AALDH1A1
SCHEMBL4815195 0.78 CYP19A1 (0.50) CASP1CASP7HSD17B10HSD17B1
SCHEMBL4816792 0.74 CYP1A2 (0.46) KCNJ1KCNH2CYP1A2CASP1CASP7
SCHEMBL2347295 0.72 CYP17A1 (0.60) CYP11B1CYP11B2
SCHEMBL91586 0.72 HSD17B1 (0.55) KDM4EMAPK1L3MBTL1CYP1A2ALDH1A1
SCHEMBL4820676 0.71 ALDH1A1 (0.49) KDM4EMAPK1MEN1KMT2AALDH1A1
SCHEMBL4813767 0.70 CYP19A1 (0.47) HTR1AHRH3MAOB
SCHEMBL7844959 0.70 KMT2A (0.54) KDM4EMAPK1MEN1KMT2AALDH1A1
SCHEMBL4821094 0.70 CHKA (0.49) CASP1CASP7HSD17B10HRH3

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1740579-B1 TRICYCLIC PYRAZOLE KINASE INHIBITORS ABBVIE INC (US) 2015-08-19 EP disclosed
US-7468371-B2 Tricyclic pyrazole kinase inhibitors ABBOTT LABORATORIES INC. (US) 2008-12-23 US disclosed
US-20060014816-A1 Tricyclic pyrazole kinase inhibitors ABBVIE INC. 2006-01-19 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-20060014816-A1 Tricyclic pyrazole kinase inhibitors PRKDC, PRKACA, PIK3C3 KDM4E 1449/4885MAPK1 443/4885L3MBTL1 3013/4885

“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.