SCHEMBL24927271

SCHEMBL24927271

N#Cc1cc(C#N)c(-n2c3ccccc3c3ccccc32)cc1-c1ccc(-c2c3ccccc3c(-c3ccccc3)c3ccccc23)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
IMPDH2 P12268 1/20 0.35
MAOA P21397 3/20 0.35
MAOB P27338 2/20 0.35
CNR1 P21554 1/20 0.34
PDE9A O76083 1/20 0.34
PDE1C Q14123 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ATM Q13315 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ALDH1A1 P00352 2/20 0.34
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
TSHR P16473 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
PARP1 P09874 1/20 0.34

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
SCHEMBL24927613 0.95 CYP1A2 (0.42) CYP1A2CYP2C9CYP2C19NPSR1IMPDH2
SCHEMBL24927631 0.92 SMN1; SMN2 (0.34) CYP1A2CYP2C9CYP2C19NPSR1IMPDH2
SCHEMBL24926806 0.91 MAOA (0.34) CYP1A2CYP2C9CYP2C19NPSR1IMPDH2
SCHEMBL24927073 0.87 KDM4E (0.36) CYP1A2CYP2C9CYP2C19NPSR1IMPDH2
SCHEMBL24927000 0.87 CYP1A2 (0.37) CYP1A2CYP2C9CYP2C19NPSR1IMPDH2
SCHEMBL24927464 0.86 CYP1A2 (0.39) CYP1A2CYP2C9CYP2C19NPSR1IMPDH2
SCHEMBL22379506 0.86 ESR2 (0.37) CYP1A2CYP2C9CYP2C19NPSR1IMPDH2
SCHEMBL24927510 0.86 KDM4E (0.41) CYP1A2CYP2C9CYP2C19NPSR1CNR1
SCHEMBL24927606 0.86 NPSR1 (0.36) CYP1A2CYP2C9CYP2C19NPSR1IMPDH2
SCHEMBL24926896 0.85 NPSR1 (0.35) CYP1A2CYP2C9CYP2C19NPSR1IMPDH2

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 14/4885CYP2C9 19/4885CYP2C19 18/4885
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 15/4885CYP2C9 23/4885CYP2C19 21/4885
US-20230034532-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME NR0B1, CRY1, CCNT1 CYP1A2 188/4885CYP2C9 674/4885CYP2C19 893/4885
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 21/4885CYP2C9 36/4885CYP2C19 42/4885

“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.