SCHEMBL6479047

SCHEMBL6479047

OCCCn1c(-c2cc[nH]n2)cc2ccccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.42
CA9 Q16790 1/20 0.42
ALDH1A1 P00352 2/20 0.40
CNR2 P34972 7/20 0.39
TDP1 Q9NUW8 1/20 0.36
CNR1 P21554 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
KDM4E B2RXH2 1/20 0.36
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HSD17B10 Q99714 1/20 0.36
NUDT1 P36639 1/20 0.36
BACE1 P56817 1/20 0.36
MTNR1A P48039 1/20 0.35
MTNR1B P49286 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
NTRK1 P04629 2/20 0.34
NTRK3 Q16288 1/20 0.34
MCL1 Q07820 1/20 0.34

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
SCHEMBL6480498 0.72 CA12 (0.46) CA12CA9ALDH1A1L3MBTL1KDM4E
SCHEMBL5984164 0.70 CA12 (0.32) CA12CA9KMT2A
SCHEMBL31487010 0.69 CNR2 (0.47) ALDH1A1CNR2CNR1L3MBTL1KDM4E
SCHEMBL25145277 0.67 CNR2 (0.48) ALDH1A1CNR2CNR1L3MBTL1KDM4E
SCHEMBL27366620 0.67 CNR2 (0.45) ALDH1A1CNR2CNR1L3MBTL1KDM4E
SCHEMBL7809850 0.67 MAPT (0.51) ALDH1A1CNR2L3MBTL1MTNR1AMTNR1B
SCHEMBL11505491 0.66 ALDH1A1 (0.69) ALDH1A1L3MBTL1KDM4EHPGDSMN1; SMN2
SCHEMBL6752492 0.66 ALDH1A1 (0.63) ALDH1A1CNR2MCL1
SCHEMBL15622712 0.66 KDM4E (0.68) ALDH1A1CNR2KDM4ESMN1; SMN2MTNR1A
SCHEMBL6488475 0.65 CA12 (0.35) CA12CA9ALDH1A1L3MBTL1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050032869-A1 Pyrazolyl-indole derivatives active as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them PHARMACIA ITALIA S.P.A. (IT) 2005-02-10 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-20050032869-A1 Pyrazolyl-indole derivatives active as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them MAP3K9, MAP3K20, MAP3K19 CA12 4824/4885CA9 2819/4885ALDH1A1 2469/4885

“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.