SCHEMBL22170335

SCHEMBL22170335

N#Cc1cc(-c2ccncc2)cc(F)c1C#N

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.47
PIK3CA P42336 1/20 0.47
PIK3CB P42338 1/20 0.47
CYP11B1 P15538 10/20 0.43
CYP11B2 P19099 10/20 0.43
CCNC P24863 1/20 0.41
CDK8 P49336 1/20 0.41
CYP2C19 P33261 3/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
SQOR Q9Y6N5 1/20 0.40
EGLN2 Q96KS0 1/20 0.38
LMNA P02545 2/20 0.38
MAPT P10636 1/20 0.38
KDM4E B2RXH2 1/20 0.38
PDE5A O76074 1/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
PTGS1 P23219 1/20 0.38
PDE4A P27815 1/20 0.38

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
SCHEMBL19909038 0.89 TRPV4 (0.47) PIK3CDPIK3CAPIK3CBCYP11B1CYP11B2
SCHEMBL19908915 0.84 PIK3CD (0.49) PIK3CDPIK3CAPIK3CBCYP11B1CYP11B2
SCHEMBL28010989 0.82 CYP11B1 (0.51) CYP11B1CYP11B2LMNAKDM4EHPGD
SCHEMBL16122015 0.82 PIK3CD (0.53) PIK3CDPIK3CAPIK3CBCYP11B1CYP11B2
SCHEMBL31492650 0.79 CYP11B2 (0.66) CYP11B1CYP11B2
SCHEMBL19933109 0.79 CYP11B2 (0.66) CYP11B1CYP11B2
SCHEMBL2924723 0.79 PIK3CD (0.50) PIK3CDPIK3CAPIK3CBCYP11B1CYP11B2
SCHEMBL16581275 0.72 PIK3CD (0.41) PIK3CDPIK3CAPIK3CBCYP11B1CYP11B2
SCHEMBL19908919 0.71 PDE3B (0.46) PIK3CDPIK3CAPIK3CBCYP11B1CYP11B2
SCHEMBL19909017 0.70 PDE3B (0.45) PIK3CDPIK3CAPIK3CBCYP11B1CYP11B2

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-11588114-B2 Organic molecules for use in optoelectronic devices SAMSUNG DISPLAY CO., LTD. (KR) 2023-02-21 US disclosed
US-20200212316-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2020-07-02 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-20200212316-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES OR10J3, OPRM1, OR51E2 PIK3CD 4090/4885PIK3CA 3731/4885PIK3CB 3848/4885
US-11588114-B2 Organic molecules for use in optoelectronic devices OR10J3, OPRM1, OR51E2 PIK3CD 4090/4885PIK3CA 3731/4885PIK3CB 3848/4885

“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.