SCHEMBL4189060

SCHEMBL4189060

CN1CCN(CCNc2cccc(N)c2)CC1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 4/20 0.49
ADRA2C P18825 1/20 0.49
ALDH1A1 P00352 1/20 0.45
SRC P12931 1/20 0.44
NR1H2 P55055 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
KAT2B Q92831 1/20 0.42
LMNA P02545 1/20 0.41
CARM1 Q86X55 2/20 0.41
PRMT6 Q96LA8 2/20 0.41
SIGMAR1 Q99720 3/20 0.41
SLC2A1 P11166 1/20 0.41
SMN1; SMN2 Q16637 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
SCHEMBL4199194 0.88 HTR7 (0.48) HTR7ALDH1A1L3MBTL1SIGMAR1
SCHEMBL3230830 0.84 MEN1 (0.52) HTR7L3MBTL1LMNASIGMAR1
Hydrochloric Acid SCHEMBL2387381 0.82 MEN1 (0.51) HTR7L3MBTL1LMNASIGMAR1
SCHEMBL31606858 0.81 LMNA (0.54) ADRA2CALDH1A1SRCNR1H2KAT2B
SCHEMBL13607115 0.79 HTR7 (0.47) HTR7ALDH1A1SRCL3MBTL1KAT2B
SCHEMBL13591868 0.76 L3MBTL1 (0.73) ALDH1A1L3MBTL1LMNASMN1; SMN2
SCHEMBL4196076 0.76 ALDH1A1 (0.53) ALDH1A1LMNASIGMAR1SMN1; SMN2
SCHEMBL18977175 0.76 CARM1 (0.49) ADRA2CALDH1A1LMNACARM1PRMT6
SCHEMBL5903459 0.75 NPC1 (0.53) HTR7ALDH1A1L3MBTL1LMNA
SCHEMBL25438515 0.75 TNIK (0.40) ADRA2CSRCKAT2BLMNASIGMAR1

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 11 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

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 HTR7 4109/4885ADRA2C 4580/4885ALDH1A1 1780/4885
US-20120207763-A1 PYRROLOPYRIMIDINE COMPOUNDS AND THEIR USES PRKDC, TK2, PNKP HTR7 4109/4885ADRA2C 4580/4885ALDH1A1 1780/4885

“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.