SCHEMBL19795553

SCHEMBL19795553

CC1(C)c2ccccc2N(c2ccc(C#N)cc2-c2cc(C#N)ccc2N2c3ccccc3C(C)(C)c3ccccc32)c2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 7/20 0.44
CASP3 P42574 1/20 0.41
PDK2 Q15119 2/20 0.38
GABRA1 P14867 1/20 0.37
GABRG2 P18507 1/20 0.37
GABRB3 P28472 1/20 0.37
GABRA5 P31644 1/20 0.37
GABRA3 P34903 1/20 0.37
GABRA2 P47869 1/20 0.37
KMT2A Q03164 4/20 0.36
MEN1 O00255 3/20 0.36
CRHBP P24387 1/20 0.36
HTT P42858 1/20 0.36
CRHR2 Q13324 1/20 0.36
KEAP1 Q14145 1/20 0.36
NFE2L2 Q16236 1/20 0.36
MAPT P10636 1/20 0.36
CYP1A2 P05177 2/20 0.34
CYP2D6 P10635 1/20 0.34
ABCC9 O60706 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
SCHEMBL18361185 0.93 PGR (0.40) PGRCASP3PDK2GABRA1GABRG2
SCHEMBL18361105 0.92 GABRA1 (0.42) PGRCASP3PDK2GABRA1GABRG2
SCHEMBL20061231 0.89 PGR (0.42) PGRCASP3PDK2GABRA1GABRG2
SCHEMBL18361137 0.89 PDK2 (0.40) PGRCASP3PDK2CYP3A4CYP2C9
SCHEMBL19755481 0.89 PGR (0.37) PGRCASP3PDK2GABRA1GABRG2
SCHEMBL21397002 0.89 CYP11B2 (0.38) PGRCASP3PDK2GABRA1GABRG2
SCHEMBL21397202 0.87 PGR (0.38) PGRCASP3PDK2GABRA1GABRG2
SCHEMBL19345045 0.87 PGR (0.43) PGRCASP3PDK2KMT2AMEN1
SCHEMBL18361130 0.87 PGR (0.40) PGRCASP3PDK2KMT2AMEN1
SCHEMBL24923993 0.85 GABRA1 (0.40) PGRGABRA1GABRG2GABRB3GABRA5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10263196-B2 Organic molecules for use in optoelectronic devices CYNORA GMBH (DE) 2019-04-16 US disclosed
EP-3138137-B1 ORGANIC MOLECULES FOR USE IN ORGANIC OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2018-06-20 EP disclosed
US-20180026202-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES SAMSUNG DISPLAY CO., LTD. (KR) 2018-01-25 US disclosed
US-20180026202-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES SAMSUNG DISPLAY CO., LTD. (KR) 2018-01-25 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 (2 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-10263196-B2 Organic molecules for use in optoelectronic devices OR10J3, ORC3, OXER1 PGR 882/4885CASP3 2370/4885PDK2 4386/4885
US-20180026202-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES ORC3, OR10J3, C1R PGR 800/4885CASP3 2385/4885PDK2 4344/4885

“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.