SCHEMBL9955876

SCHEMBL9955876

O=c1cc(C(F)(F)F)nc2n1CCCN2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.44
KDM4E B2RXH2 3/20 0.44
POLB P06746 2/20 0.44
KDM5B Q9UGL1 1/20 0.41
HPGD P15428 3/20 0.40
HSD17B10 Q99714 2/20 0.40
MAPK10 P53779 1/20 0.40
FABP4 P15090 2/20 0.38
RPS6KA2 Q15349 1/20 0.38
ADRB2 P07550 2/20 0.36
GFER P55789 1/20 0.36
KCNQ3 O43525 2/20 0.35
KCNQ2 O43526 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
ADRB1 P08588 1/20 0.34
ADRA2A P08913 1/20 0.34
HTR2C P28335 1/20 0.34
AXL P30530 1/20 0.34
HRH1 P35367 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
SCHEMBL23415105 0.74 ALDH1A1 (0.44) ALDH1A1KDM4EKDM5BHPGDHSD17B10
SCHEMBL23415143 0.73 ALDH1A1 (0.42) ALDH1A1POLBKDM5BHPGDKCNQ3
SCHEMBL2931108 0.73 KDM4E (0.49) ALDH1A1KDM4EPOLBHPGDHSD17B10
SCHEMBL6493490 0.72 ALDH1A1 (0.55) ALDH1A1KDM4EPOLBKDM5BHPGD
SCHEMBL3998985 0.72 CDC7 (0.46) ALDH1A1KDM4EPOLBKDM5BHPGD
SCHEMBL20304594 0.70 KDM4E (0.38) ALDH1A1KDM4EPOLBHPGDHSD17B10
SCHEMBL3041953 0.70 KDM4E (0.49) ALDH1A1KDM4EPOLBKDM5BHPGD
SCHEMBL3568709 0.69 GSK3B (0.48) ALDH1A1KDM4EPOLBRPS6KA2
SCHEMBL932341 0.68 KDM4E (0.46) ALDH1A1KDM4EPOLBHPGDHSD17B10
SCHEMBL4487254 0.68 KDM4E (0.41) ALDH1A1KDM4EPOLBHPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8846670-B2 1,2,3,4-tetrahydro-pyrimido(1,2-a)pyrimidin-6-one derivatives, preparation thereof, and pharmaceutical use thereof SANOFI (FR) 2014-09-30 US disclosed
EP-2655375-A1 PYRIMIDINONE DERIVATIVES, PREPARATION THEREOF AND PHARMACEUTICAL USE THEREOF SANOFI (FR) 2013-10-30 EP disclosed
US-20120208810-A1 NOVEL 1,2,3,4-TETRAHYDRO-PYRIMIDO(1,2-A)PYRIMIDIN-6-ONE DERIVATIVES, PREPARATION THEREOF, AND PHARMACEUTICAL USE THEREOF SANOFI (FR) 2012-08-16 US disclosed
WO-2012085244-A1 PYRIMIDINONE DERIVATIVES, PREPARATION THEREOF AND PHARMACEUTICAL USE THEREOF SANOFI (FR) 2012-06-28 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 (1 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-20120208810-A1 NOVEL 1,2,3,4-TETRAHYDRO-PYRIMIDO(1,2-A)PYRIMIDIN-6-ONE DERIVATIVES, PREPARATION THEREOF, AND PHARMACEUTICAL USE THEREOF ALK, HAX1, HCLS1 ALDH1A1 39/4885KDM4E 2566/4885POLB 1770/4885

“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.