SCHEMBL21116487

SCHEMBL21116487

N#Cc1ccc(-c2ccc3c4ccccc4n(-c4cc(-c5ccc(C(F)(F)F)c(-n6c7ccccc7c7ccc(-c8ccc(C#N)cc8)cc76)c5)ccc4C(F)(F)F)c3c2)cc1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.50
PDPK1 O15530 1/20 0.39
PDK2 Q15119 1/20 0.38
AR P10275 4/20 0.35
PTPN5 P54829 2/20 0.35
HDAC1 Q13547 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
CHEK1 O14757 1/20 0.34
SYK P43405 1/20 0.33
SLC22A12 Q96S37 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ATM Q13315 1/20 0.33
PTGER4 P35408 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
SCHEMBL21116259 0.94 KIF11 (0.45) KIF11PDPK1PDK2ARPTPN5
SCHEMBL21116475 0.94 KIF11 (0.56) KIF11PDPK1PDK2ARPTPN5
SCHEMBL21116551 0.93 KIF11 (0.50) KIF11PDPK1PDK2ARPTPN5
SCHEMBL21116553 0.92 KIF11 (0.40) KIF11PDPK1ARPTPN5
SCHEMBL21116533 0.89 KIF11 (0.45) KIF11PDPK1PDK2ARPTPN5
SCHEMBL21116565 0.88 AR (0.39) KIF11PDPK1PDK2AR
SCHEMBL21116264 0.87 KIF11 (0.50) KIF11PDPK1ARPTPN5HDAC1
SCHEMBL21116557 0.87 L3MBTL1 (0.40) KIF11ATM
SCHEMBL21132066 0.87 KIF11 (0.47) KIF11PDPK1PDK2AR
SCHEMBL21116555 0.86 KIF11 (0.56) KIF11PDK2ARPTPN5HDAC1

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 KIF11 3544/4885PDPK1 4687/4885PDK2 3875/4885
US-11136294-B2 Organic molecules for use in optoelectronic devices OR10J3, ORC3, NOX3 KIF11 3520/4885PDPK1 4663/4885PDK2 3880/4885

“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.