SCHEMBL3753847

SCHEMBL3753847

N#Cc1ccc(C(=O)C(=O)c2ccc(C#N)cc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.67
CA1 P00915 2/20 0.67
GSK3B P49841 2/20 0.59
PARP15 Q460N3 1/20 0.53
PARP10 Q53GL7 1/20 0.53
PARP2 Q9UGN5 1/20 0.53
CA12 O43570 1/20 0.52
CA3 P07451 1/20 0.52
CA6 P23280 1/20 0.52
CA9 Q16790 1/20 0.52
CA14 Q9ULX7 1/20 0.52
ALDH1A1 P00352 2/20 0.50
MAPT P10636 1/20 0.50
KDM4E B2RXH2 1/20 0.50
PKM P14618 1/20 0.50
KMT2A Q03164 1/20 0.50
ATM Q13315 1/20 0.50
CES2 O00748 4/20 0.48
CES1 P23141 4/20 0.48
MAOA P21397 1/20 0.47

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
SCHEMBL6413833 0.91 CES2 (0.65) CA2CA1GSK3BALDH1A1MAPT
SCHEMBL31331813 0.89 ALDH1A1 (0.67) CA2CA1GSK3BPARP15PARP10
SCHEMBL1229041 0.88 CA2 (0.59) CA2CA1GSK3BPARP15PARP10
SCHEMBL11796934 0.87 PARP15 (0.73) CA2CA1GSK3BPARP15PARP10
SCHEMBL437076 0.86 CA2 (0.57) CA2CA1GSK3BPARP15PARP10
SCHEMBL3433075 0.84 CA2 (0.67) CA2CA1GSK3BPARP15PARP10
SCHEMBL12103702 0.84 CA2 (0.50) CA2CA1GSK3BPARP15PARP10
SCHEMBL28975338 0.83 CA2 (0.53) CA2CA1GSK3BPARP15PARP10
SCHEMBL16596031 0.83 CA1 (0.53) CA2CA1GSK3BPARP15PARP10
SCHEMBL2163556 0.82 CA2 (0.64) CA2CA1GSK3BPARP15PARP10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220144858-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME LT MATERIALS CO., LTD. (KR) 2022-05-12 US disclosed
US-9741969-B2 Carrier generation material and organic light-emitting diode NATIONAL TSING HUA UNIVERSITY (TW) 2017-08-22 US disclosed
US-20170062771-A1 CARRIER GENERATION MATERIAL AND ORGANIC LIGHT-EMITTING DIODE NATIONAL TSING HUA UNIVERSITY (TW) 2017-03-02 US disclosed
US-20110266945-A1 DISPLAY ELEMENT KONICA MINOLTA HOLDINGS, INC. (JP) 2011-11-03 US disclosed
US-20110019265-A1 DISPLAY ELEMENT AND METHOD OF FORMING POROUS LAYER IN DISPLAY ELEMENT KONICA MINOLTA HOLDINGS, INC. (JP) 2011-01-27 US disclosed
US-7842830-B2 Transition-metal charge-transport materials, methods of fabrication thereof, and methods of use thereof GEORGIA TECH RESEARCH CORPORATION (US) 2010-11-30 US disclosed
US-20080121870-A1 Transition-Metal Charge Transport Materials, Methods Of Fabrication Thereof, And Methods Of Use Thereof GEORGIA TECH RESEACH CORPORATION 2008-05-29 US disclosed
WO-2005123754-A2 TRANSITION-METAL CHARGE-TRANSPORT MATERIALS, METHODS OF FABRICATION THEREOF, AND METHODS OF USE THEREOF GEORGIA TECH RESEARCH CORPORATION (US) 2005-12-29 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-20170062771-A1 CARRIER GENERATION MATERIAL AND ORGANIC LIGHT-EMITTING DIODE NOX4, CBR3, NOX3 CA2 3771/4885CA1 4378/4885GSK3B 4596/4885
US-20220144858-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME CRY1, CYP1A1, CYP1B1 CA2 3855/4885CA1 2505/4885GSK3B 4638/4885
US-20080121870-A1 Transition-Metal Charge Transport Materials, Methods Of Fabrication Thereof, And Methods Of Use Thereof SLC39A3, SLC6A6, SLC6A9 CA2 311/4885CA1 449/4885GSK3B 3684/4885

“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.