SCHEMBL17570645

SCHEMBL17570645

CC1(C)c2ccccc2N(c2c(C#N)cccc2C#N)c2cc3c(cc21)N(c1c(C#N)cccc1C#N)c1ccccc1C3(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.36
KMT2A Q03164 5/20 0.35
MEN1 O00255 4/20 0.35
MAPT P10636 2/20 0.35
CRHBP P24387 1/20 0.35
HTT P42858 1/20 0.35
CRHR2 Q13324 1/20 0.35
KEAP1 Q14145 1/20 0.35
NFE2L2 Q16236 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HIF1A Q16665 1/20 0.35
PGR P06401 3/20 0.35
CYP1A2 P05177 2/20 0.33
TSHR P16473 1/20 0.33
CYP2D6 P10635 1/20 0.33
PDK2 Q15119 1/20 0.32
NOTUM Q6P988 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 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
SCHEMBL12281541 0.82 KMT2A (0.39) KDM4EKMT2AMEN1MAPTCRHBP
SCHEMBL20437398 0.81 PGR (0.38) KDM4EKMT2AMEN1MAPTCRHBP
SCHEMBL20437402 0.77 PGR (0.39) KDM4EKMT2AMEN1MAPTCRHBP
SCHEMBL12109109 0.77 KMT2A (0.36) KDM4EKMT2AMEN1MAPTHTT
SCHEMBL12109107 0.77 KMT2A (0.36) KDM4EKMT2AMEN1MAPTHTT
SCHEMBL23920104 0.77 MEN1 (0.30) KMT2AMEN1MAPTCRHBPHTT
SCHEMBL19755479 0.77 PGR (0.34) KDM4EKMT2AMEN1MAPTCRHBP
SCHEMBL17954513 0.77 MAPT (0.37) KDM4EKMT2AMEN1MAPTCRHBP
SCHEMBL19755475 0.76 PGR (0.34) KMT2AMEN1MAPTCRHBPHTT
SCHEMBL20061238 0.76 PGR (0.39) KMT2AMEN1MAPTCRHBPHTT

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
EP-3375785-B1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2020-08-05 EP disclosed
US-10193079-B2 Materials for electronic devices MERCK PATENT GMBH (DE) 2019-01-29 US disclosed
EP-2976329-B1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2018-06-27 EP disclosed
US-20160072076-A1 MATERIALS FOR ELECTRONIC DEVICES UDC IRELAND LIMITED (IE) 2016-03-10 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-20160072076-A1 MATERIALS FOR ELECTRONIC DEVICES AOC3, AOC2, AOC1 KDM4E 2957/4885KMT2A 1937/4885MEN1 1465/4885
US-10193079-B2 Materials for electronic devices AOC3, AOC2, AOC1 KDM4E 2957/4885KMT2A 1937/4885MEN1 1465/4885

“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.