SCHEMBL4188946

SCHEMBL4188946

CCC(CC)Nc1nc(Cl)ncc1Br

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
CRHR1 P34998 13/20 0.43
ADORA2A P29274 3/20 0.37
ADORA1 P30542 3/20 0.37
ADORA3 P0DMS8 2/20 0.37
LATS1 O95835 1/20 0.34
LATS2 Q9NRM7 1/20 0.34
PDE1B Q01064 1/20 0.34
TMIGD3 P0DMS9 1/20 0.34
HTR2C P28335 1/20 0.34
HTR2B P41595 1/20 0.34
ALDH1A1 P00352 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL2818636 0.91 MEN1 (0.45) MEN1KMT2ACRHR1ADORA2AADORA1
SCHEMBL2818634 0.91 MEN1 (0.45) MEN1KMT2ACRHR1ADORA2AADORA1
SCHEMBL14367850 0.91 MEN1 (0.45) MEN1KMT2ACRHR1ADORA2AADORA1
SCHEMBL23154132 0.85 MEN1 (0.48) MEN1KMT2ALATS1LATS2ALDH1A1
SCHEMBL3450503 0.85 MEN1 (0.48) MEN1KMT2ALATS1LATS2ALDH1A1
SCHEMBL13649001 0.83 MEN1 (0.43) MEN1KMT2AADORA2AADORA1ALDH1A1
SCHEMBL20652358 0.83 CRHR1 (0.48) CRHR1ADORA2AADORA1ADORA3
SCHEMBL22866072 0.81 CRHR1 (0.47) CRHR1ADORA2AADORA1ADORA3
SCHEMBL1773659 0.81 KMT2A (0.46) MEN1KMT2AADORA1ADORA3
SCHEMBL13649096 0.80 MEN1 (0.44) MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2029145-B1 PYRROLOPYRIMIDINE COMPOUNDS AND THEIR USES NOVARTIS AG (CH) 2017-01-25 EP disclosed
EP-2029145-B1 PYRROLOPYRIMIDINE COMPOUNDS AND THEIR USES NOVARTIS AG (CH) 2017-01-25 EP 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-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
CN-101594871-A Pyrrolopyrimidine compounds and uses thereof NOVARTIS AG (CH) 2009-12-02 CN 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 MEN1 3138/4885KMT2A 2222/4885CRHR1 4710/4885
US-20120207763-A1 PYRROLOPYRIMIDINE COMPOUNDS AND THEIR USES PRKDC, TK2, PNKP MEN1 3138/4885KMT2A 2222/4885CRHR1 4710/4885

“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.