SCHEMBL4182956

SCHEMBL4182956

CCO/C=C\c1cnc(Cl)nc1NC(CC)CC

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 15/20 0.37
ALDH1A1 P00352 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ADORA3 P0DMS8 2/20 0.33
ADORA2A P29274 2/20 0.33
ADORA1 P30542 2/20 0.33
PDE1B Q01064 1/20 0.32
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
POLB P06746 1/20 0.30
MAPT P10636 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL4526451 1.00 CRHR1 (0.37) CRHR1ALDH1A1L3MBTL1ADORA3ADORA2A
SCHEMBL12984819 0.80 ALDH1A1 (0.35) ALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL12984823 0.80 ALDH1A1 (0.35) ALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL11916211 0.76 PIN1 (0.46) KDM4EMEN1MAPTKMT2A
SCHEMBL4182957 0.76 STK17A (0.38) ALDH1A1L3MBTL1KDM4EKMT2A
SCHEMBL1233630 0.76 CSNK1A1 (0.37) ALDH1A1L3MBTL1
SCHEMBL1233615 0.76 CSNK1A1 (0.37) ALDH1A1L3MBTL1
SCHEMBL3715709 0.75 STK17A (0.39) ALDH1A1L3MBTL1
SCHEMBL20652358 0.75 CRHR1 (0.48) CRHR1ADORA3ADORA2AADORA1
SCHEMBL12985619 0.74 MAPK8 (0.33) ALDH1A1L3MBTL1

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 12 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-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-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
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
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 CRHR1 4710/4885ALDH1A1 1780/4885L3MBTL1 2247/4885
US-20120207763-A1 PYRROLOPYRIMIDINE COMPOUNDS AND THEIR USES PRKDC, TK2, PNKP CRHR1 4710/4885ALDH1A1 1780/4885L3MBTL1 2247/4885

“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.