SCHEMBL854030

SCHEMBL854030

CC(=O)Nc1ccc2c(c1)CCN2C(=O)O

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.63
RAB9A P51151 4/20 0.57
SMN1; SMN2 Q16637 3/20 0.57
NPC1 O15118 3/20 0.57
MAPT P10636 2/20 0.57
TP53 P04637 1/20 0.57
LMNA P02545 1/20 0.52
NOTUM Q6P988 4/20 0.50
BAZ2B Q9UIF8 1/20 0.50
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
PKM P14618 1/20 0.47
NFKB1 P19838 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
HPGD P15428 1/20 0.46
TRIM24 O15164 1/20 0.46

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
SCHEMBL11682254 0.90 SMN1; SMN2 (0.70) ALDH1A1RAB9ASMN1; SMN2NPC1MAPT
SCHEMBL3767593 0.82 SMN1; SMN2 (0.72) ALDH1A1RAB9ASMN1; SMN2NPC1MAPT
SCHEMBL2625806 0.82 NPC1 (0.61) ALDH1A1RAB9ASMN1; SMN2NPC1MAPT
SCHEMBL12464373 0.81 ALDH1A1 (0.53) ALDH1A1RAB9ASMN1; SMN2NPC1MAPT
SCHEMBL28693772 0.80 NOTUM (0.54) ALDH1A1RAB9ASMN1; SMN2NPC1MAPT
SCHEMBL10842279 0.79 ALDH1A1 (0.53) ALDH1A1RAB9ASMN1; SMN2NPC1MAPT
SCHEMBL12905318 0.79 ALDH1A1 (0.53) ALDH1A1RAB9ASMN1; SMN2NPC1MAPT
SCHEMBL13180848 0.78 ALDH1A1 (0.52) ALDH1A1RAB9ASMN1; SMN2NPC1MAPT
SCHEMBL14626152 0.78 ALDH1A1 (0.52) ALDH1A1RAB9ASMN1; SMN2NPC1MAPT
SCHEMBL2632813 0.78 ALDH1A1 (0.52) ALDH1A1RAB9ASMN1; SMN2NPC1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8901315-B2 Thienopyrazole derivative having PDE7 inhibitory activity DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-12-02 US disclosed
US-20140073799-A1 THIENOPYRAZOLE DERIVATIVE HAVING PDE7 INHIBITORY ACTIVITY DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-03-13 US disclosed
EP-1775298-B1 THIENOPYRAZOLE DERIVATIVE HAVING PDE7 INHIBITORY ACTIVITY DAIICHI SANKYO CO LTD (JP) 2013-03-20 EP disclosed
EP-2433943-A1 Thienopyrazole derivatives having PDE7 inhibitory activity Daiichi Sankyo Company, Limited (JP) 2012-03-28 EP disclosed
US-20110166343-A1 THIENOPYRAZOLE DERIVATIVE HAVING PDE7 INHIBITORY ACTIVITY DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-07-07 US disclosed
US-7932250-B2 Thienopyrazole derivative having PDE7 inhibitory activity DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-04-26 US disclosed
US-20090131413-A1 Thienopyrazole Derivative Having PDE7 Inhibitory Activity ASUBIO PHARMA CO., LTD. (JP) 2009-05-21 US disclosed
EP-1775298-A1 THIENOPYRAZOLE DERIVATIVE HAVING PDE7 INHIBITORY ACTIVITY Daiichi Asubio Pharma Co., Ltd. (JP) 2007-04-18 EP 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-20140073799-A1 THIENOPYRAZOLE DERIVATIVE HAVING PDE7 INHIBITORY ACTIVITY PDE7A, PDE7B, PDE3B ALDH1A1 2864/4885RAB9A 1552/4885SMN1; SMN2 4191/4885
US-20110166343-A1 THIENOPYRAZOLE DERIVATIVE HAVING PDE7 INHIBITORY ACTIVITY PDE7A, PDE7B, PDE3B ALDH1A1 2864/4885RAB9A 1552/4885SMN1; SMN2 4191/4885
US-20090131413-A1 Thienopyrazole Derivative Having PDE7 Inhibitory Activity PDE7A, PDE7B, PDE3B ALDH1A1 2864/4885RAB9A 1552/4885SMN1; SMN2 4191/4885

“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.