SCHEMBL20848601

SCHEMBL20848601

N#Cc1cccc(-c2ccc3c(c2)c2ccccc2n3-c2ccc(C#N)cc2-c2cc(-c3c(C(F)(F)F)cccc3C(F)(F)F)ccc2-n2c3ccccc3c3cc(-c4cccc(C#N)c4)ccc32)c1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.38
PTPN5 P54829 1/20 0.38
ACP1 P24666 1/20 0.36
KIF11 P52732 1/20 0.35
ENPP1 P22413 1/20 0.35
AR P10275 4/20 0.34
SLC22A12 Q96S37 1/20 0.34
MAT2A P31153 1/20 0.34
MAP4K4 O95819 1/20 0.33
PTGER4 P35408 1/20 0.33
PRF1 P14222 1/20 0.33
CHEK1 O14757 1/20 0.33
SSTR2 P30874 1/20 0.33
ALDH1A3 P47895 1/20 0.32
SYK P43405 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
SCHEMBL20849639 0.96 KIF11 (0.38) PDK2PTPN5ACP1KIF11AR
SCHEMBL20849453 0.95 PDK2 (0.39) PDK2PTPN5ACP1KIF11ENPP1
SCHEMBL20849633 0.95 PDK2 (0.39) PDK2PTPN5ACP1KIF11ENPP1
SCHEMBL20849446 0.95 KIF11 (0.34) PDK2PTPN5ACP1KIF11ENPP1
SCHEMBL20849261 0.95 KIF11 (0.41) PDK2PTPN5ACP1KIF11AR
SCHEMBL21399799 0.94 PDK2 (0.37) PDK2PTPN5ACP1KIF11ENPP1
SCHEMBL20848561 0.94 AR (0.36) PDK2ACP1KIF11ARSLC22A12
SCHEMBL20849638 0.93 KIF11 (0.40) PDK2PTPN5ACP1KIF11AR
SCHEMBL20849642 0.92 AR (0.44) PDK2PTPN5ACP1KIF11ENPP1
SCHEMBL20849194 0.91 KIF11 (0.36) PDK2PTPN5ACP1KIF11AR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10978646-B2 Organic molecules for use in optoelectronic devices CYNORA GMBH (DE) 2021-04-13 US disclosed
US-20190097141-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES SAMSUNG DISPLAY CO., LTD. (KR) 2019-03-28 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-10978646-B2 Organic molecules for use in optoelectronic devices OCIAD2, OCIAD1, POU2F1 PDK2 1574/4885PTPN5 4494/4885ACP1 2186/4885
US-20190097141-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES OCIAD2, OCIAD1, POU2F1 PDK2 1574/4885PTPN5 4494/4885ACP1 2186/4885

“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.