SCHEMBL24926773

SCHEMBL24926773

N#Cc1cc(-c2cc(C#N)c(-n3c4ccccc4c4ccccc43)cc2C#N)cc(-c2c3ccccc3c(-c3ccccc3)c3ccccc23)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.35
CYP2C19 P33261 3/20 0.35
CYP2C9 P11712 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
METAP2 P50579 1/20 0.34
ADORA2A P29274 1/20 0.33
MAOA P21397 3/20 0.33
MAOB P27338 2/20 0.33
ALOX5 P09917 1/20 0.32
PDE9A O76083 1/20 0.32
PDE1C Q14123 1/20 0.32
IMPDH2 P12268 1/20 0.31
HTR3A P46098 1/20 0.31
MEN1 O00255 3/20 0.31
ALDH1A1 P00352 3/20 0.31
KMT2A Q03164 3/20 0.31
CYP3A4 P08684 3/20 0.31
CLK4 Q9HAZ1 2/20 0.31
TSHR P16473 2/20 0.31
LMNA P02545 2/20 0.31

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
SCHEMBL24927000 0.89 CYP1A2 (0.37) CYP1A2CYP2C19CYP2C9NPSR1MAOA
SCHEMBL24927613 0.89 CYP1A2 (0.42) CYP1A2CYP2C19CYP2C9NPSR1MAOA
SCHEMBL24927602 0.87 MEN1 (0.35) CYP1A2CYP2C19CYP2C9NPSR1ADORA2A
SCHEMBL24927148 0.86 METAP2 (0.36) METAP2ADORA2APDE9APDE1CHTR3A
SCHEMBL24927464 0.86 CYP1A2 (0.39) CYP1A2CYP2C19CYP2C9NPSR1MAOA
SCHEMBL24927120 0.86 MEN1 (0.38) CYP1A2CYP2C19CYP2C9NPSR1METAP2
SCHEMBL24926816 0.86 CYP11B1 (0.34) METAP2MAOAMAOBPDE9APDE1C
SCHEMBL24927246 0.85 PDE9A (0.33) METAP2ADORA2AMAOAMAOBPDE9A
SCHEMBL24926820 0.85 ALDH1A1 (0.40) METAP2MAOAMAOBPDE9APDE1C
SCHEMBL24927316 0.84 PGR (0.35) NPSR1METAP2MAOAMAOBPDE9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230301179-A1 HETEROCYCLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME, AND ELECTRONIC APPARATUS INCLUDING THE ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2023-09-21 US disclosed
US-20230174560-A1 HETEROCYCLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME, AND ELECTRONIC APPARATUS INCLUDING THE ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2023-06-08 US disclosed
US-20230165130-A1 HETEROCYCLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE HETEROCYCLIC COMPOUND, AND ELECTRONIC APPARATUS INCLUDING THE ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2023-05-25 US disclosed
US-20230034532-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG ELECTRONICS CO., LTD. (KR) 2023-02-02 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 (4 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-20230165130-A1 HETEROCYCLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE HETEROCYCLIC COMPOUND, AND ELECTRONIC APPARATUS INCLUDING THE ORGANIC LIGHT-EMITTING DEVICE CYP1A1, CYP2E1, AOX1 CYP1A2 14/4885CYP2C19 18/4885CYP2C9 19/4885
US-20230174560-A1 HETEROCYCLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME, AND ELECTRONIC APPARATUS INCLUDING THE ORGANIC LIGHT-EMITTING DEVICE CRY1, AOX1, CYP1A1 CYP1A2 15/4885CYP2C19 21/4885CYP2C9 23/4885
US-20230034532-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME NR0B1, CRY1, CCNT1 CYP1A2 188/4885CYP2C19 893/4885CYP2C9 674/4885
US-20230301179-A1 HETEROCYCLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME, AND ELECTRONIC APPARATUS INCLUDING THE ORGANIC LIGHT-EMITTING DEVICE CRY1, AOX1, CYP1A1 CYP1A2 21/4885CYP2C19 42/4885CYP2C9 36/4885

“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.