SCHEMBL7762374

SCHEMBL7762374

CC(C)(C)c1nc2ccccc2c(=O)n1-c1ccccc1

nearest known ligand 0.72

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 3/20 0.58
PDE7B Q9NP56 1/20 0.58
SMN1; SMN2 Q16637 3/20 0.57
MAPT P10636 2/20 0.57
GAA P10253 1/20 0.57
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54
ALDH1A1 P00352 4/20 0.52
KDM4E B2RXH2 2/20 0.52
POLB P06746 1/20 0.51
HPGD P15428 1/20 0.51
LMNA P02545 1/20 0.51
NPY1R P25929 1/20 0.51
NPY2R P49146 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
MAPK1 P28482 2/20 0.50
HSD17B10 Q99714 1/20 0.50
ALOX12 P18054 1/20 0.50
TSHR P16473 1/20 0.49

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
SCHEMBL17936605 0.88 PDE7A (0.56) PDE7APDE7BSMN1; SMN2MAPTGAA
SCHEMBL16416583 0.84 NPC1 (0.54) PDE7APDE7BSMN1; SMN2MAPTNPC1
SCHEMBL16591377 0.82 LMNA (0.56) PDE7APDE7BSMN1; SMN2MAPTGAA
SCHEMBL16591383 0.81 PIK3CD (0.47) PDE7APDE7BSMN1; SMN2MAPTGAA
SCHEMBL16591392 0.80 PIK3CD (0.49)
SCHEMBL16591389 0.80 TRPV4 (0.45) PDE7APDE7BSMN1; SMN2MAPTGAA
SCHEMBL5928786 0.79 KDM4E (0.63) SMN1; SMN2MAPTGAANPC1RAB9A
SCHEMBL15836366 0.79 MAPT (0.58) PDE7APDE7BSMN1; SMN2MAPTGAA
SCHEMBL30122631 0.78 MAPK1 (0.75) SMN1; SMN2ALDH1A1KDM4EPOLBLMNA
SCHEMBL1682746 0.78 MAPK1 (0.75) SMN1; SMN2ALDH1A1KDM4EPOLBLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160207929-A1 PI3K PROTEIN KINASE INHIBITORS, PARTICULARLY DELTA AND/OR GAMMA INHIBITORS RHIZEN PHARMACEUTICALS SA (CH) 2016-07-21 US disclosed
US-8278327-B2 PDE10 inhibitors and related compositions and methods OMEROS CORPORATION (US) 2012-10-02 US disclosed
US-20110021509-A1 PDE10 INHIBITORS AND RELATED COMPOSITIONS AND METHODS OMEROS CORPORATION (US) 2011-01-27 US disclosed
US-7786139-B2 PDE10 inhibitors and related compositions and methods OMEROS CORPORATION (US) 2010-08-31 US disclosed
US-20080300240-A1 PDE10 INHIBITORS AND RELATED COMPOSITIONS AND METHODS OMEROS CORPORATION (US) 2008-12-04 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-20080300240-A1 PDE10 INHIBITORS AND RELATED COMPOSITIONS AND METHODS PDE10A, PDE9A, PDE7A PDE7A 3/4885PDE7B 23/4885SMN1; SMN2 600/4885
US-20160207929-A1 PI3K PROTEIN KINASE INHIBITORS, PARTICULARLY DELTA AND/OR GAMMA INHIBITORS PRKCZ, PRKCE, PRKCA PDE7A 816/4885PDE7B 1167/4885SMN1; SMN2 2820/4885
US-20110021509-A1 PDE10 INHIBITORS AND RELATED COMPOSITIONS AND METHODS PDE10A, PDE9A, PDE7A PDE7A 3/4885PDE7B 25/4885SMN1; SMN2 544/4885

“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.