SCHEMBL24252594

SCHEMBL24252594

c1cncc(-c2ccc(-c3cc(-c4cccc(-c5cccnc5)c4)nc(-c4ccc5c(ccc6ccccc65)c4)n3)cc2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 8/20 0.55
CYP11B2 P19099 7/20 0.55
CYP19A1 P11511 6/20 0.55
CYP17A1 P05093 3/20 0.55
DHODH Q02127 1/20 0.47
CYP1A2 P05177 2/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
HSD17B1 P14061 1/20 0.45
CYP2B6 P20813 1/20 0.45
CYP2C19 P33261 1/20 0.45
HSD17B2 P37059 1/20 0.45
ERN1 O75460 1/20 0.45
PGR P06401 1/20 0.44
SIRT2 Q8IXJ6 1/20 0.43
RAB9A P51151 2/20 0.42
NPC1 O15118 1/20 0.42
KDM4E B2RXH2 2/20 0.42
CYP1A1 P04798 1/20 0.42

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
SCHEMBL30857479 1.00 CYP11B1 (0.55) CYP11B1CYP11B2CYP19A1CYP17A1DHODH
SCHEMBL21841073 0.95 CYP11B1 (0.56) CYP11B1CYP11B2CYP19A1CYP17A1DHODH
SCHEMBL30857474 0.93 CYP11B1 (0.50) CYP11B1CYP11B2CYP19A1CYP17A1DHODH
SCHEMBL28548835 0.93 CYP11B1 (0.50) CYP11B1CYP11B2CYP19A1CYP17A1DHODH
SCHEMBL24252714 0.91 CYP11B1 (0.52) CYP11B1CYP11B2CYP19A1CYP17A1DHODH
SCHEMBL17808026 0.90 CYP11B2 (0.59) CYP11B1CYP11B2CYP19A1CYP17A1DHODH
SCHEMBL17808144 0.90 CYP11B2 (0.59) CYP11B1CYP11B2CYP19A1CYP17A1DHODH
SCHEMBL17808163 0.90 CYP11B2 (0.69) CYP11B1CYP11B2CYP19A1CYP17A1DHODH
SCHEMBL19650625 0.90 CYP11B2 (0.69) CYP11B1CYP11B2CYP19A1CYP17A1DHODH
SCHEMBL17808036 0.90 CYP11B2 (0.69) CYP11B1CYP11B2CYP19A1CYP17A1DHODH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112654611-B Compound having pyrimidine ring structure and organic electroluminescent element 保土谷化学工业株式会社 2024-04-30 CN disclosed
US-20220052268-A1 COMPOUND HAVING PYRIMIDINE RING STRUCTURE AND ORGANIC ELECTROLUMINESCENT ELEMENT HODOGAYA CHEMICAL CO., LTD. (JP) 2022-02-17 US disclosed
CN-112654611-A Compound having pyrimidine ring structure and organic electroluminescent element 保土谷化学工业株式会社 2021-04-13 CN 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-20220052268-A1 COMPOUND HAVING PYRIMIDINE RING STRUCTURE AND ORGANIC ELECTROLUMINESCENT ELEMENT SLC29A1, NUDT1, SLC29A2 CYP11B1 4052/4885CYP11B2 3916/4885CYP19A1 2810/4885

“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.