SCHEMBL1448522

SCHEMBL1448522

Cc1ncc(C(=O)C=CN(C)C)n1C1CCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.40
MAPT P10636 6/20 0.40
KMT2A Q03164 3/20 0.40
LMNA P02545 3/20 0.40
MEN1 O00255 2/20 0.40
HTT P42858 2/20 0.40
ALOX12 P18054 2/20 0.40
USP2 O75604 1/20 0.40
TP53 P04637 1/20 0.40
TSHR P16473 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
RAB9A P51151 4/20 0.38
POLB P06746 2/20 0.38
TDP1 Q9NUW8 1/20 0.36
CDK4 P11802 3/20 0.35
CCND1 P24385 3/20 0.35
RECQL P46063 2/20 0.35
NPC1 O15118 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
PTGS2 P35354 1/20 0.34

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
SCHEMBL1448519 1.00 ALDH1A1 (0.40) ALDH1A1MAPTKMT2ALMNAMEN1
SCHEMBL1447709 0.97 ALDH1A1 (0.43) ALDH1A1MAPTKMT2ALMNAMEN1
SCHEMBL1447706 0.97 ALDH1A1 (0.43) ALDH1A1MAPTKMT2ALMNAMEN1
SCHEMBL4248909 0.96 MAPT (0.45) ALDH1A1MAPTKMT2ALMNAMEN1
SCHEMBL4248915 0.96 MAPT (0.45) ALDH1A1MAPTKMT2ALMNAMEN1
SCHEMBL4026915 0.95 MAPT (0.38) ALDH1A1MAPTKMT2ALMNAMEN1
SCHEMBL4026913 0.95 MAPT (0.38) ALDH1A1MAPTKMT2ALMNAMEN1
SCHEMBL4752532 0.93 MAPT (0.40) ALDH1A1MAPTKMT2ALMNAMEN1
SCHEMBL4752531 0.93 MAPT (0.40) ALDH1A1MAPTKMT2ALMNAMEN1
SCHEMBL4243564 0.89 MAPT (0.37) ALDH1A1MAPTKMT2ALMNAMEN1

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-2301928-A1 Imidazolyl-pyrimidine compounds for use in the treatment of proliferative disorders AstraZeneca AB (SE) 2011-03-30 EP disclosed
US-7655652-B2 2-{4-[4-(2-hydroxyacetyl)piperazin-1-yl]anilino}-4-(1-isopropyl-2-methyl-1H-imidazol-5-yl)-5-fluoropyrimidine hydrochloride; cell cycle inhibitory; rheumatoid arthritis ASTRAZENECA AB (SE) 2010-02-02 US disclosed
EP-1485375-B1 PYRIMIDINE COMPOUNDS ASTRAZENECA AB (SE) 2009-06-17 EP disclosed
US-20090099160-A1 4-(4-(Imidazol-4-Yl) Pyrimidin-2-Ylamino) Benzamides as CDK Inhibitors ASTRAZENECA AB (SE) 2009-04-16 US disclosed
US-7485638-B2 Pyrimidine compounds ASTRAZENECA AB (SE) 2009-02-03 US disclosed
US-20080280906-A1 Imidazolyl-Pyrimidine Compounds for Use in the Treatment of Proliferative Disorders ASTRAZENECA AB (SE) 2008-11-13 US disclosed
EP-1828183-A1 4- (4- (IMIDAZOL-4-YL) PYRIMIDIN-2-YLAMINO) BENZAMIDES AS CDK INHIBITORS AstraZeneca AB (SE) 2007-09-05 EP disclosed
US-20070161615-A1 Chemical compounds ASTRAZENECA AB (SE) 2007-07-12 US disclosed
EP-1748999-A1 IMIDAZOLO-5-YL-2-ANILINOPYRIMIDINES AS AGENTS FOR THE INHIBITION OF CELL PROLIFERATION AstraZeneca AB (SE) 2007-02-07 EP disclosed
WO-2006064251-A1 4- (4- (IMIDAZOL-4-YL) PYRIMIDIN-2-YLAMINO) BENZAMIDES AS CDK INHIBITORS ASTRAZENECA AB (SE) 2006-06-22 WO disclosed
US-20050256311-A1 Pyrimidine compounds ASTRAZENECA AB (SE) 2005-11-17 US disclosed
WO-2005075461-A1 IMIDAZOLO-5-YL-2-ANILINOPYRIMIDINES AS AGENTS FOR THE INHIBITION OF CELL PROLIFERATION ASTRAZENECA AB (SE) 2005-08-18 WO disclosed
EP-1485375-A1 PYRIMIDINE COMPOUNDS AstraZeneca AB (SE) 2004-12-15 EP disclosed
WO-2003076435-A1 PYRIMIDINE COMPOUNDS ASTRAZENECA AB (SE) 2003-09-18 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 (4 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-20050256311-A1 Pyrimidine compounds TYMP, TYMS, CCNT1 ALDH1A1 648/4885MAPT 4055/4885KMT2A 2966/4885
US-20090099160-A1 4-(4-(Imidazol-4-Yl) Pyrimidin-2-Ylamino) Benzamides as CDK Inhibitors CCNI, CDK4, CDK3 ALDH1A1 1127/4885MAPT 4106/4885KMT2A 329/4885
US-20070161615-A1 Chemical compounds MKI67, PCNA, CCNI ALDH1A1 320/4885MAPT 3632/4885KMT2A 2406/4885
US-20080280906-A1 Imidazolyl-Pyrimidine Compounds for Use in the Treatment of Proliferative Disorders CCNI, MKI67, TYMP ALDH1A1 423/4885MAPT 3364/4885KMT2A 2164/4885

“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.