SCHEMBL4487380

SCHEMBL4487380

CCOC(=O)c1[nH]nc2c1C[C@H]1C(c3ccccc3)[C@H]21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.46
MAPK10 P53779 1/20 0.46
RIPK1 Q13546 1/20 0.46
ALDH1A1 P00352 3/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
DHFR P00374 1/20 0.40
TP53 P04637 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CACNA1D Q01668 2/20 0.40
ADORA3 P0DMS8 1/20 0.39
ALOX12 P18054 1/20 0.39
KDM4E B2RXH2 2/20 0.39
GAA P10253 1/20 0.39
MEN1 O00255 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
KMT2A Q03164 1/20 0.39
ACHE P22303 1/20 0.38

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
SCHEMBL4488627 1.00 AURKA (0.46) AURKAMAPK10RIPK1ALDH1A1HPGD
SCHEMBL4478015 0.83 ALDH1A1 (0.43) AURKAMAPK10RIPK1ALDH1A1HPGD
SCHEMBL4480517 0.83 ALDH1A1 (0.43) AURKAMAPK10RIPK1ALDH1A1HPGD
SCHEMBL13631522 0.83 ALDH1A1 (0.43) AURKAMAPK10RIPK1ALDH1A1HPGD
SCHEMBL13631785 0.83 HCAR2 (0.37) ALDH1A1HSD17B10SMN1; SMN2CACNA1DKDM4E
SCHEMBL4480327 0.82 HCAR2 (0.42) ALDH1A1HSD17B10KDM4EMEN1KMT2A
SCHEMBL4527215 0.82 HCAR2 (0.42) ALDH1A1HSD17B10KDM4EMEN1KMT2A
SCHEMBL4489553 0.82 HCAR2 (0.42) ALDH1A1HSD17B10KDM4EMEN1KMT2A
SCHEMBL13631567 0.81 HCAR2 (0.43) AURKAMAPK10RIPK1ALDH1A1HPGD
SCHEMBL4487593 0.81 HCAR2 (0.43) AURKAMAPK10RIPK1ALDH1A1HPGD

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-7612106-B2 Fused pyrazole derivatives and methods of treatment of metabolic-related disorders thereof ARENA PHARMACEUTICALS, INC. (US) 2009-11-03 US disclosed
US-20090258892-A1 FUSED PYRAZOLE DERIVATIVES AND METHODS OF TREATMENT OF METABOLIC-RELATED DISORDERS THEREOF ARENA PHARMACEUTICALS, INC. (US) 2009-10-15 US disclosed
US-20070073062-A1 Fused pyrazole derivatives and methods of treatment of metabolic-related disorders thereof ARENA PHARMACEUTICALS, INC. 2007-03-29 US disclosed
US-20060205955-A1 Fused pyrazole derivatives and methods of treatment of metabolic-related disorders thereof ARENA PHARMACEUTICALS, INC. (US) 2006-09-14 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 (3 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-20090258892-A1 FUSED PYRAZOLE DERIVATIVES AND METHODS OF TREATMENT OF METABOLIC-RELATED DISORDERS THEREOF ACE, ACE2, AGTR2 AURKA 3931/4885MAPK10 4448/4885RIPK1 1699/4885
US-20070073062-A1 Fused pyrazole derivatives and methods of treatment of metabolic-related disorders thereof ACE, ACE2, AGTR2 AURKA 3931/4885MAPK10 4448/4885RIPK1 1699/4885
US-20060205955-A1 Fused pyrazole derivatives and methods of treatment of metabolic-related disorders thereof ACE, ACE2, AGTR2 AURKA 3931/4885MAPK10 4448/4885RIPK1 1699/4885

“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.