SCHEMBL2305845

SCHEMBL2305845

O=C(OCc1ccccc1)N1CC[C@H]2CCCN(CCc3ccccc3)C=C21

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.45
CYP2C19 P33261 1/20 0.45
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
PREP P48147 2/20 0.42
SIGMAR1 Q99720 6/20 0.40
TMEM97 Q5BJF2 5/20 0.40
PDE4B Q07343 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL28150248 0.79 NPC1 (0.49) SMN1; SMN2CYP2C19NPC1RAB9AL3MBTL1
SCHEMBL2302032 0.76 NPC1 (0.46) SMN1; SMN2CYP2C19NPC1RAB9AL3MBTL1
SCHEMBL4866049 0.72 NPC1 (0.49) SMN1; SMN2CYP2C19NPC1RAB9AL3MBTL1
SCHEMBL1653568 0.71 XIAP (0.44)
SCHEMBL29087342 0.68 SMN1; SMN2 (0.59) SMN1; SMN2CYP2C19NPC1RAB9APDE4B
SCHEMBL1934002 0.68 NPC1 (0.49) SMN1; SMN2CYP2C19NPC1RAB9AL3MBTL1
SCHEMBL2305843 0.67 PREP (0.47) PREP
SCHEMBL29707055 0.67 NPC1 (0.54) SMN1; SMN2CYP2C19NPC1RAB9AL3MBTL1
SCHEMBL8466542 0.67 NPC1 (0.51) SMN1; SMN2CYP2C19NPC1RAB9AL3MBTL1
SCHEMBL7405713 0.67 NPC1 (0.48) SMN1; SMN2CYP2C19NPC1RAB9AL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9309252-B2 Pyrrolopyrimidine compounds as inhibitors of CDK4/6 NOVARTIS AG (CH) 2016-04-12 US disclosed
EP-2536730-B1 PYRROLOPYRIMIDINE COMPOUNDS AS INHIBITORS OF CDK4/6 NOVARTIS AG (CH) 2015-07-08 EP disclosed
US-20150099737-A1 PYRROLOPYRIMIDINE COMPOUNDS AS INHIBITORS OF CDK4/6 NOVARTIS AG (CH) 2015-04-09 US disclosed
US-8957074-B2 Pyrrolopyrimidine compounds as inhibitors of CDK4/6 NOVARTIS AG (CH) 2015-02-17 US disclosed
US-20130150342-A1 PYRROLOPYRIMIDINE COMPOUNDS AS INHIBITORS OF CDK4/6 NOVARTIS AG (CH) 2013-06-13 US disclosed
EP-2536730-A1 PYRROLOPYRIMIDINE COMPOUNDS AS INHIBITORS OF CDK4/6 Novartis AG (CH) 2012-12-26 EP disclosed
WO-2011101409-A1 PYRROLOPYRIMIDINE COMPOUNDS AS INHIBITORS OF CDK4/6 NOVARTIS AG (CH) 2011-08-25 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 (2 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-20150099737-A1 PYRROLOPYRIMIDINE COMPOUNDS AS INHIBITORS OF CDK4/6 CDK4, CDK6, CCNT1 SMN1; SMN2 2345/4885CYP2C19 2091/4885NPC1 3953/4885
US-20130150342-A1 PYRROLOPYRIMIDINE COMPOUNDS AS INHIBITORS OF CDK4/6 CDK4, CDK6, CCNT1 SMN1; SMN2 2422/4885CYP2C19 2105/4885NPC1 3992/4885

“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.