SCHEMBL20848592

SCHEMBL20848592

N#Cc1ccc(-n2c3ccccc3c3cc(C#N)ccc32)c(-c2cc(-n3c4ccccc4c4cc(C#N)ccc43)ccc2-c2c(C(F)(F)F)cccc2C(F)(F)F)c1

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ACP1 P24666 1/20 0.33
AR P10275 4/20 0.33
SLC22A12 Q96S37 3/20 0.31
PDK2 Q15119 1/20 0.30
PDPK1 O15530 1/20 0.30

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
SCHEMBL20849494 0.98 ACP1 (0.33) ACP1ARSLC22A12PDK2PDPK1
SCHEMBL20849489 0.98 ACP1 (0.33) ACP1ARSLC22A12PDK2PDPK1
SCHEMBL20848593 0.96 ACP1 (0.31) ACP1ARSLC22A12PDK2
SCHEMBL20849392 0.94 ELANE (0.33) ACP1AR
SCHEMBL20849656 0.93 KIF11 (0.36) ACP1ARPDK2PDPK1
SCHEMBL20849415 0.93 AR (0.32) ACP1AR
SCHEMBL20849425 0.93 KIF11 (0.33) ACP1ARPDK2PDPK1
SCHEMBL20849348 0.93 PDK2 (0.36) ACP1ARSLC22A12PDK2PDPK1
SCHEMBL20849366 0.92 KDM4E (0.33) ACP1AR
SCHEMBL20849442 0.92 PDK2 (0.32) ACP1PDK2PDPK1

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 ACP1 2186/4885AR 3706/4885SLC22A12 1191/4885
US-20190097141-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES OCIAD2, OCIAD1, POU2F1 ACP1 2186/4885AR 3706/4885SLC22A12 1191/4885

“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.