SCHEMBL16122015

SCHEMBL16122015

N#Cc1cc(-c2ccncc2)cc(C#N)c1F

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.53
PIK3CA P42336 1/20 0.53
PIK3CB P42338 1/20 0.53
CDK8 P49336 2/20 0.46
CCNC P24863 1/20 0.46
LMNA P02545 3/20 0.44
MAPT P10636 2/20 0.44
PDE3B Q13370 2/20 0.41
PDE3A Q14432 2/20 0.41
CYP2C19 P33261 2/20 0.41
KDM4E B2RXH2 1/20 0.41
PDE5A O76074 1/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
PTGS1 P23219 1/20 0.41
PDE4A P27815 1/20 0.41
BLM P54132 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4C Q08493 1/20 0.41
PDE4D Q08499 1/20 0.41

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
SCHEMBL19908915 0.91 PIK3CD (0.49) PIK3CDPIK3CAPIK3CBCDK8CCNC
SCHEMBL17545767 0.85 ESR1 (0.45) CYP2C19HPGDCYP11B1CYP11B2KIF11
SCHEMBL16122340 0.82 TRPV4 (0.41) CYP11B1CYP11B2
SCHEMBL22170335 0.82 PIK3CD (0.47) PIK3CDPIK3CAPIK3CBCDK8CCNC
SCHEMBL16581275 0.81 PIK3CD (0.41) PIK3CDPIK3CAPIK3CBCDK8CCNC
SCHEMBL2924723 0.81 PIK3CD (0.50) PIK3CDPIK3CAPIK3CBCDK8CCNC
SCHEMBL17545780 0.80 ESR1 (0.40) CYP11B1CYP11B2
SCHEMBL16098270 0.79 ALDH1A1 (0.50) LMNACYP2C19KDM4EHPGDCYP11B1
SCHEMBL16122010 0.78 CYP11B2 (0.54) LMNAKDM4EHPGDDYRK1ADYRK1B
SCHEMBL16122294 0.78 CYP11B1 (0.51) LMNACYP2C19KDM4EHPGDCYP11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2976322-B1 SYNTHETIC BUILDING BLOCKS FOR THE PRODUCTION OF MATERIALS FOR ORGANIC ELECTROLUMINESCENCE DEVICES MERCK PATENT GMBH (DE) 2019-11-20 EP disclosed
US-10407384-B2 Synthetic building blocks for the production of materials for organic electroluminescence devices MERCK PATENT GMBH (DE) 2019-09-10 US disclosed
US-20170313650-A1 SYNTHETIC BUILDING BLOCKS FOR THE PRODUCTION OF MATERIALS FOR ORGANIC ELECTROLUMINESCENCE DEVICES UDC IRELAND LIMITED (IE) 2017-11-02 US disclosed
US-9718764-B2 Synthetic building blocks for the production of materials for organic electroluminescence devices MERCK PATENT GMBH (DE) 2017-08-01 US disclosed
US-20160046563-A1 SYNTHETIC BUILDING BLOCKS FOR THE PRODUCTION OF MATERIALS FOR ORGANIC ELECTROLUMINESCENCE DEVICES UDC IRELAND LIMITED (IE) 2016-02-18 US disclosed
WO-2014146750-A1 SYNTHETIC BUILDING BLOCKS FOR THE PRODUCTION OF MATERIALS FOR ORGANIC ELECTROLUMINESCENCE DEVICES MERCK PATENT GMBH (DE) 2014-09-25 WO 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 (3 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-20160046563-A1 SYNTHETIC BUILDING BLOCKS FOR THE PRODUCTION OF MATERIALS FOR ORGANIC ELECTROLUMINESCENCE DEVICES TBCB, CYBA, BMP2 PIK3CD 4006/4885PIK3CA 4176/4885PIK3CB 2929/4885
US-10407384-B2 Synthetic building blocks for the production of materials for organic electroluminescence devices TBCB, CYBA, BMP2 PIK3CD 4006/4885PIK3CA 4176/4885PIK3CB 2929/4885
US-20170313650-A1 SYNTHETIC BUILDING BLOCKS FOR THE PRODUCTION OF MATERIALS FOR ORGANIC ELECTROLUMINESCENCE DEVICES TBCB, CYBA, BMP2 PIK3CD 4006/4885PIK3CA 4176/4885PIK3CB 2929/4885

“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.