SCHEMBL7907485

SCHEMBL7907485

O=C(OCc1ccccc1)N1CCC(n2ncc3c(Cl)nc(Cl)nc32)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.50
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
GRIN2B Q13224 9/20 0.49
CYP2C19 P33261 1/20 0.48
CYP2D6 P10635 4/20 0.46
CYP2C9 P11712 4/20 0.46
CYP3A4 P08684 3/20 0.46
HTT P42858 1/20 0.45
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
JAK2 O60674 2/20 0.42
JAK1 P23458 2/20 0.42
TYK2 P29597 2/20 0.42
JAK3 P52333 2/20 0.42
ENPP2 Q13822 1/20 0.42
NR3C1 P04150 1/20 0.42
TRPC3 Q13507 1/20 0.42
TRPC7 Q9HCX4 1/20 0.42

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
SCHEMBL303924 0.86 GRIN2B (0.52) SMN1; SMN2NPC1RAB9AGRIN2BCYP2C19
SCHEMBL7907489 0.85 GRIN2B (0.45) SMN1; SMN2NPC1RAB9AGRIN2BCYP2C19
SCHEMBL26113929 0.83 SMN1; SMN2 (0.51) SMN1; SMN2NPC1RAB9AGRIN2BCYP2C19
SCHEMBL30588458 0.83 SMN1; SMN2 (0.51) SMN1; SMN2NPC1RAB9AGRIN2BCYP2C19
SCHEMBL12139719 0.82 MTOR (0.53) TRPC3TRPC7
SCHEMBL14794928 0.82 MTOR (0.52)
SCHEMBL11961137 0.80 GRIN2B (0.40) SMN1; SMN2NPC1RAB9AGRIN2BCYP2C19
SCHEMBL3808612 0.80 GRIN2B (0.54) SMN1; SMN2NPC1RAB9AGRIN2BCYP2C19
SCHEMBL55671 0.80 PIK3CA (0.53) NR3C1
SCHEMBL1128398 0.79 NR3C1 (0.57) CYP2C9CYP3A4MEN1KMT2ANPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2382207-B1 PI3K/MTOR KINASE INHIBITORS XCOVERY HOLDING CO LLC (US) 2015-04-29 EP disclosed
US-8912178-B2 mTOR selective kinase inhibitors Xcovery Holdings Company, LLC (US) 2014-12-16 US disclosed
US-8912178-B2 mTOR selective kinase inhibitors Xcovery Holdings Company, LLC (US) 2014-12-16 US disclosed
US-20140051699-A1 PI3K (delta) SELECTIVE INHIBITORS XCOVERY HOLDING COMPANY, LLC (US) 2014-02-20 US disclosed
US-20140051699-A1 PI3K (delta) SELECTIVE INHIBITORS XCOVERY HOLDING COMPANY, LLC (US) 2014-02-20 US disclosed
US-8586582-B2 PI3K/mTOR kinase inhibitors XCOVERY HOLDING COMPANY, LLC (US) 2013-11-19 US disclosed
US-8586582-B2 PI3K/mTOR kinase inhibitors XCOVERY HOLDING COMPANY, LLC (US) 2013-11-19 US disclosed
US-8569296-B2 PI3K (delta) selective inhibitors XCOVERY HOLDING COMPANY, LLC (US) 2013-10-29 US disclosed
US-8569296-B2 PI3K (delta) selective inhibitors XCOVERY HOLDING COMPANY, LLC (US) 2013-10-29 US disclosed
US-20130072481-A1 mTOR SELECTIVE KINASE INHIBITORS XCOVERY HOLDING COMPANY, LLC (US) 2013-03-21 US disclosed
US-20130072481-A1 mTOR SELECTIVE KINASE INHIBITORS XCOVERY HOLDING COMPANY, LLC (US) 2013-03-21 US disclosed
US-20120202805-A1 PI3K (delta) SELECTIVE INHIBITORS XCOVERY HOLDING COMPANY, LLC 2012-08-09 US disclosed
US-20120202805-A1 PI3K (delta) SELECTIVE INHIBITORS XCOVERY HOLDING COMPANY, LLC 2012-08-09 US disclosed
US-20110281857-A1 PI3K/MTOR KINASE INHIBITORS XCOVERY HOLDING COMPANY, LLC (US) 2011-11-17 US disclosed
US-20110281857-A1 PI3K/MTOR KINASE INHIBITORS XCOVERY HOLDING COMPANY, LLC (US) 2011-11-17 US disclosed
WO-2010056320-A2 PI3K/MTOR KINASE INHIBITORS TYROGENEX, INC. (US) 2010-05-20 WO 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 (4 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-20140051699-A1 PI3K (delta) SELECTIVE INHIBITORS PIK3CD, PIK3CA, PIK3R5 SMN1; SMN2 2950/4885NPC1 2162/4885RAB9A 498/4885
US-20130072481-A1 mTOR SELECTIVE KINASE INHIBITORS MTOR, ULK1, ULK2 SMN1; SMN2 2437/4885NPC1 1857/4885RAB9A 679/4885
US-20120202805-A1 PI3K (delta) SELECTIVE INHIBITORS PIK3CD, PIK3CA, PIK3R5 SMN1; SMN2 2950/4885NPC1 2162/4885RAB9A 498/4885
US-20110281857-A1 PI3K/MTOR KINASE INHIBITORS MTOR, PIK3CA, PI4KA SMN1; SMN2 2252/4885NPC1 2085/4885RAB9A 483/4885

“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.