SCHEMBL21928003

SCHEMBL21928003

CC1(C)c2ccccc2N(c2ccccc2-c2ccccc2-c2cc(C#N)ccn2)c2ccccc21

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PGR P06401 1/20 0.37
HCRTR1 O43613 2/20 0.33
HCRTR2 O43614 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
NPY5R Q15761 5/20 0.33
GRM5 P41594 3/20 0.33
KCNH2 Q12809 3/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
CRHBP P24387 1/20 0.33
HTT P42858 1/20 0.33
CRHR2 Q13324 1/20 0.33
KEAP1 Q14145 1/20 0.33
NFE2L2 Q16236 1/20 0.33
MAPT P10636 1/20 0.33
AR P10275 1/20 0.32
FFAR1 O14842 1/20 0.32
KDM4C Q9H3R0 2/20 0.32
PDK2 Q15119 1/20 0.32

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
SCHEMBL21927298 0.95 PGR (0.41) PGRHCRTR1HCRTR2NPSR1NPY5R
SCHEMBL21929625 0.88 TGFBR1 (0.36) PGRHCRTR2NPSR1GRM5HTT
SCHEMBL21928497 0.86 GABRA1 (0.37) PGRNPSR1GRM5ARPDK2
SCHEMBL21928002 0.85 AR (0.37) PGRGRM5HTTMAPTAR
SCHEMBL22064924 0.83 PDK2 (0.36) PGRHCRTR1HCRTR2NPSR1NPY5R
SCHEMBL21927288 0.83 GRM5 (0.34) HCRTR1HCRTR2NPY5RGRM5KCNH2
SCHEMBL21928001 0.82 PGR (0.40) PGRNPSR1GRM5MEN1KMT2A
SCHEMBL21927269 0.81 GRM5 (0.39) HCRTR1HCRTR2NPSR1GRM5HTT
SCHEMBL22065908 0.81 NPSR1 (0.40) PGRHCRTR1HCRTR2NPSR1NPY5R
SCHEMBL22064940 0.81 PGR (0.39) PGRGRM5HTTMAPTAR

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-20200131150-A1 CONDENSED CYCLIC COMPOUND, COMPOSITION INCLUDING THE SAME AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG ELECTRONICS CO., LTD. (KR) 2020-04-30 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-20200131150-A1 CONDENSED CYCLIC COMPOUND, COMPOSITION INCLUDING THE SAME AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME CCNT1, CCNA1, CCNE2 PGR 1552/4885HCRTR1 217/4885HCRTR2 340/4885

“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.