SCHEMBL19344937

SCHEMBL19344937

N#Cc1ccc(-c2ccc(N3c4ccccc4Nc4ccccc43)cc2)c(C#N)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STS P08842 1/20 0.42
CHEK1 O14757 2/20 0.41
PGR P06401 1/20 0.36
ESR2 Q92731 1/20 0.34
CYP19A1 P11511 2/20 0.34
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
CCNB2 O95067 1/20 0.33
CDK1 P06493 1/20 0.33
CCNB1 P14635 1/20 0.33
CCNA2 P20248 1/20 0.33
CDK2 P24941 1/20 0.33
GSK3B P49841 1/20 0.33
CCNA1 P78396 1/20 0.33
CDK5 Q00535 1/20 0.33
CDK5R1 Q15078 1/20 0.33
CCNB3 Q8WWL7 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GNG2 P59768 1/20 0.33

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
SCHEMBL19344999 0.90 CHEK1 (0.39) STSCHEK1PGRESR2CYP19A1
SCHEMBL19345027 0.85 STS (0.42) STSPGRESR2CYP19A1
SCHEMBL19345285 0.83 PGR (0.40) CHEK1PGRCYP11B2KDM4EALDH1A1
SCHEMBL19344995 0.82 PGR (0.48) STSPGR
SCHEMBL19345014 0.82 KDM4E (0.37) CHEK1KDM4EALDH1A1GNG2GNB1
SCHEMBL19345028 0.82 STS (0.42) STSPGRESR2ALDH1A1
SCHEMBL19345005 0.82 STS (0.42) STSPGRESR2CYP19A1CYP11B1
SCHEMBL19344946 0.82 POLB (0.42) PGRKDM4EALDH1A1
SCHEMBL19344942 0.81 PGR (0.42) STSPGRESR2
SCHEMBL19345000 0.81 STS (0.39) STSPGRCYP19A1CYP11B1CYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170263871-A1 ORGANIC ELECTROLUMINESCENT MATERIAL AND ORGANIC OPTOELECTRONIC DEVICE TIANMA MICRO-ELECTRONICS CO., LTD. (CN) 2017-09-14 US 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-20170263871-A1 ORGANIC ELECTROLUMINESCENT MATERIAL AND ORGANIC OPTOELECTRONIC DEVICE OR10J3, RPS10, OR51E2 STS 1626/4885CHEK1 3170/4885PGR 1448/4885

“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.