SCHEMBL21116274

SCHEMBL21116274

N#Cc1ccc2c3ccccc3n(-c3cc(-c4ccc(C#N)c(-n5c6ccccc6c6ccc(C#N)cc65)c4)ccc3C#N)c2c1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 1/20 0.36
KDM4E B2RXH2 1/20 0.35
ATM Q13315 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
RORC P51449 3/20 0.33
PTGER4 P35408 2/20 0.33
ENPP3 O14638 1/20 0.33
AR P10275 1/20 0.33
MAT2A P31153 1/20 0.33
TNKS O95271 1/20 0.33
G6PD P11413 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TDP1 Q9NUW8 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
SCHEMBL21116510 0.93 CHEK1 (0.36) IMPDH2KDM4EATML3MBTL1RORC
SCHEMBL21116277 0.93 CYP11B2 (0.35) IMPDH2ARMAT2A
SCHEMBL22378529 0.93 STS (0.33) IMPDH2KDM4EATML3MBTL1CA1
SCHEMBL22153260 0.93 KDM4E (0.36) IMPDH2KDM4EATML3MBTL1G6PD
SCHEMBL22379537 0.93 STS (0.33) IMPDH2KDM4EATML3MBTL1CA1
SCHEMBL22153944 0.93 KDM4E (0.36) IMPDH2KDM4EATML3MBTL1G6PD
SCHEMBL21116480 0.92 RORC (0.38) IMPDH2KDM4EATML3MBTL1CA1
SCHEMBL22154387 0.91 ALDH1A1 (0.36) KDM4EATML3MBTL1MAT2AG6PD
SCHEMBL22378521 0.91 PRKDC (0.35) ARMAT2ASMN1; SMN2
SCHEMBL21116468 0.90 STS (0.40) IMPDH2CA1CA2AR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11136294-B2 Organic molecules for use in optoelectronic devices CYNORA GMBH (DE) 2021-10-05 US disclosed
EP-3478656-B1 DICARBAZOLE DIPHENYL DERIVATIVES FOR USE IN OPTOPELECTRONIC DEVICES CYNORA GMBH (DE) 2021-09-08 EP disclosed
US-20190194130-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2019-06-27 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-20190194130-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES OR10J3, NOX3, ORC3 IMPDH2 4294/4885KDM4E 1656/4885ATM 4063/4885
US-11136294-B2 Organic molecules for use in optoelectronic devices OR10J3, ORC3, NOX3 IMPDH2 4355/4885KDM4E 1959/4885ATM 3947/4885

“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.