SCHEMBL22227772

SCHEMBL22227772

c1ccc(-c2ccc(-c3ccc(-c4cc(-c5cccnc5)nc(-c5cccc6c5-c5ccccc5C6(c5ccccc5)c5ccccc5)n4)cc3)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 7/20 0.48
CYP19A1 P11511 1/20 0.47
DHODH Q02127 1/20 0.41
ALDH1A1 P00352 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
LMNA P02545 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
KDM4E B2RXH2 2/20 0.38
GLA P06280 1/20 0.38
GAA P10253 1/20 0.38
MKNK1 Q9BUB5 1/20 0.37
MKNK2 Q9HBH9 1/20 0.37
MAPT P10636 2/20 0.37
NPC1 O15118 1/20 0.37
TP53 P04637 1/20 0.37
HPGD P15428 1/20 0.37
RAB9A P51151 1/20 0.37
HSD17B10 Q99714 1/20 0.37
VCP P55072 1/20 0.37
MEN1 O00255 1/20 0.36

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
SCHEMBL31355557 1.00 PDK2 (0.48) PDK2CYP19A1DHODHALDH1A1SMN1; SMN2
SCHEMBL22037598 0.93 PDK2 (0.47) PDK2CYP19A1DHODHALDH1A1SMN1; SMN2
SCHEMBL20809932 0.93 PDK2 (0.50) PDK2CYP19A1DHODHALDH1A1SMN1; SMN2
SCHEMBL20809920 0.93 PDK2 (0.50) PDK2CYP19A1DHODHALDH1A1SMN1; SMN2
SCHEMBL22038366 0.91 PDK2 (0.46) PDK2CYP19A1DHODHALDH1A1SMN1; SMN2
SCHEMBL22038471 0.91 PDK2 (0.45) PDK2CYP19A1DHODHALDH1A1SMN1; SMN2
SCHEMBL22037624 0.91 PDK2 (0.45) PDK2CYP19A1DHODHALDH1A1SMN1; SMN2
SCHEMBL22037438 0.91 PDK2 (0.45) PDK2CYP19A1DHODHALDH1A1SMN1; SMN2
SCHEMBL22039018 0.91 PDK2 (0.45) PDK2CYP19A1DHODHALDH1A1SMN1; SMN2
SCHEMBL22037893 0.91 PDK2 (0.45) PDK2CYP19A1DHODHALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200277272-A1 COMPOUND HAVING PYRIMIDINE RING STRUCTURE AND ORGANIC ELECTROLUMINESCENCE DEVICE HODOGAYA CHEMICAL CO., LTD. (JP) 2020-09-03 US disclosed
EP-3683212-A1 COMPOUND HAVING PYRIMIDINE RING STRUCTURE AND ORGANIC ELECTROLUMINESCENT ELEMENT Hodogaya Chemical Co., Ltd. (JP) 2020-07-22 EP 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-20200277272-A1 COMPOUND HAVING PYRIMIDINE RING STRUCTURE AND ORGANIC ELECTROLUMINESCENCE DEVICE SLC29A1, ADORA1, SLC29A2 PDK2 2822/4885CYP19A1 1296/4885DHODH 986/4885

“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.