SCHEMBL1447965

SCHEMBL1447965

CCN(C(=O)C(F)(F)F)c1cnoc1C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.35
NPC1 O15118 1/20 0.35
GMNN O75496 1/20 0.35
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
HTR1A P08908 1/20 0.35
THRB P10828 1/20 0.35
PIM1 P11309 1/20 0.35
CYP2C9 P11712 1/20 0.35
MAOA P21397 1/20 0.35
SLC6A2 P23975 1/20 0.35
HTR2A P28223 1/20 0.35
AGTR1 P30556 1/20 0.35
CCKBR P32239 1/20 0.35
MC4R P32245 1/20 0.35
CYP2C19 P33261 1/20 0.35
THPO P40225 1/20 0.35
RAB9A P51151 1/20 0.35

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
Hydrochloric Acid SCHEMBL5245490 0.88 CSF1R (0.33) HTTNPC1GMNNLMNATP53
SCHEMBL4250802 0.80 LMNA (0.38) HTTNPC1GMNNLMNATP53
SCHEMBL1448131 0.79 TSHR (0.34) HTTNPC1GMNNLMNATP53
SCHEMBL1447777 0.77 MLYCD (0.40) HTTLMNANPSR1TSHRMLYCD
SCHEMBL3551490 0.77 TP53 (0.41) HTTLMNATP53SMN1; SMN2NPSR1
SCHEMBL1156106 0.76 NPC1 (0.35) HTTNPC1GMNNLMNATP53
SCHEMBL6596993 0.76 NPC1 (0.35) HTTNPC1GMNNLMNATP53
SCHEMBL1447502 0.75 HTT (0.40) HTTLMNATP53TSHRALDH1A1
SCHEMBL31211562 0.67 ALDH1A1 (0.63) HTTTP53CYP3A4CYP2C9CYP2C19
SCHEMBL4907928 0.66 TSHR (0.37) LMNACYP3A4NPSR1TSHRMLYCD

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 5 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-20090099160-A1 4-(4-(Imidazol-4-Yl) Pyrimidin-2-Ylamino) Benzamides as CDK Inhibitors ASTRAZENECA AB (SE) 2009-04-16 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
WO-2006064251-A1 4- (4- (IMIDAZOL-4-YL) PYRIMIDIN-2-YLAMINO) BENZAMIDES AS CDK INHIBITORS ASTRAZENECA AB (SE) 2006-06-22 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-20090099160-A1 4-(4-(Imidazol-4-Yl) Pyrimidin-2-Ylamino) Benzamides as CDK Inhibitors CCNI, CDK4, CDK3 HTT 4754/4885NPC1 4535/4885GMNN 1442/4885
US-20080280906-A1 Imidazolyl-Pyrimidine Compounds for Use in the Treatment of Proliferative Disorders CCNI, MKI67, TYMP HTT 3458/4885NPC1 1784/4885GMNN 375/4885

“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.