SCHEMBL4191609

SCHEMBL4191609

CCC(CC)Nc1nc(Cl)ncc1[N+](=O)[O-]

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 13/20 0.53
L3MBTL1 Q9Y468 1/20 0.42
HCAR3 P49019 1/20 0.39
PGK1 P00558 1/20 0.39
CRHR1 P34998 2/20 0.39
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38
GLP1R P43220 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
SCHEMBL14852953 0.90 PIN1 (0.47) PIN1L3MBTL1PGK1CRHR1MAPT
SCHEMBL1496408 0.84 PIN1 (0.57) PIN1L3MBTL1MAPTHTTGLP1R
SCHEMBL13313883 0.83 PIN1 (0.48) PIN1L3MBTL1PGK1MAPTHTT
SCHEMBL1804900 0.81 PIN1 (0.57) PIN1L3MBTL1PGK1MAPT
SCHEMBL4580244 0.81 PIN1 (0.51) PIN1L3MBTL1MAPTHTTGLP1R
SCHEMBL4580251 0.81 PIN1 (0.51) PIN1L3MBTL1MAPTHTTGLP1R
SCHEMBL26634260 0.80 MAPT (0.53) PIN1L3MBTL1HCAR3MAPTHTT
SCHEMBL22343850 0.79 PIN1 (0.52) PIN1L3MBTL1MAPTHTT
SCHEMBL4867295 0.79 PIN1 (0.61) PIN1L3MBTL1
SCHEMBL2282877 0.78 MAPT (0.60) L3MBTL1HCAR3PGK1CRHR1MAPT

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-8324225-B2 Pyrrolopyrimidine compounds and their uses NOVARTIS AG (CH) 2012-12-04 US disclosed
US-8324225-B2 Pyrrolopyrimidine compounds and their uses NOVARTIS AG (CH) 2012-12-04 US disclosed
US-20120207763-A1 PYRROLOPYRIMIDINE COMPOUNDS AND THEIR USES ASTEX THERAPEUTICS LIMITED (GB) 2012-08-16 US disclosed
US-20120207763-A1 PYRROLOPYRIMIDINE COMPOUNDS AND THEIR USES ASTEX THERAPEUTICS LIMITED (GB) 2012-08-16 US disclosed
US-20090318441-A1 Pyrrolopyrimidine Compounds and Their Uses ASTEX THERAPEUTICS LTD. 2009-12-24 US disclosed
US-20090318441-A1 Pyrrolopyrimidine Compounds and Their Uses ASTEX THERAPEUTICS LTD. 2009-12-24 US disclosed
EP-2029145-A2 PYRROLOPYRIMIDINE COMPOUNDS AND THEIR USES Novartis Ag (CH) 2009-03-04 EP disclosed
WO-2007140222-A2 PYRROLOPYRIMIDINE COMPOUNDS AND THEIR USES NOVARTIS AG (CH) 2007-12-06 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-20090318441-A1 Pyrrolopyrimidine Compounds and Their Uses PRKDC, TK2, PNKP PIN1 194/4885L3MBTL1 2247/4885HCAR3 4010/4885
US-20120207763-A1 PYRROLOPYRIMIDINE COMPOUNDS AND THEIR USES PRKDC, TK2, PNKP PIN1 194/4885L3MBTL1 2247/4885HCAR3 4010/4885

“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.