SCHEMBL19344985

SCHEMBL19344985

CC1(C)c2ccccc2N(c2cc(C#N)ccc2C#N)c2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 6/20 0.43
KDM4E B2RXH2 1/20 0.36
KMT2A Q03164 5/20 0.35
MEN1 O00255 4/20 0.35
HTT P42858 2/20 0.35
CRHBP P24387 1/20 0.35
CRHR2 Q13324 1/20 0.35
KEAP1 Q14145 1/20 0.35
NFE2L2 Q16236 1/20 0.35
MAPT P10636 1/20 0.35
PDK2 Q15119 1/20 0.35
CYP1A2 P05177 2/20 0.33
CYP2D6 P10635 1/20 0.33
AR P10275 1/20 0.33
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
RAB9A P51151 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 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
SCHEMBL19345045 0.88 PGR (0.43) PGRKDM4EKMT2AMEN1HTT
SCHEMBL20061231 0.88 PGR (0.42) PGRKMT2AMEN1HTTCRHBP
SCHEMBL19795553 0.84 PGR (0.44) PGRKMT2AMEN1HTTCRHBP
SCHEMBL19344982 0.83 PGR (0.33) PGRKDM4EPDK2ARNPSR1
SCHEMBL19344990 0.83 PDK2 (0.42) PGRKDM4EPDK2NPSR1
SCHEMBL18361130 0.82 PGR (0.40) PGRKDM4EKMT2AMEN1HTT
SCHEMBL20061238 0.82 PGR (0.39) PGRKMT2AMEN1HTTCRHBP
SCHEMBL20437401 0.81 PGR (0.38) PGRKDM4EKMT2AMEN1HTT
SCHEMBL20437396 0.81 PGR (0.38) PGRKDM4EKMT2AMEN1HTT
SCHEMBL19345076 0.80 PGR (0.48) PGRPDK2AR

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 PGR 1448/4885KDM4E 3155/4885KMT2A 2506/4885

“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.