SCHEMBL22378100

SCHEMBL22378100

N#Cc1ccc2c(c1)c1ccccc1n2-c1cc(C#N)c(-c2ccc(-c3ccccc3-n3c4ccccc4c4ccccc43)cc2)cc1C#N

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 2/20 0.36
STS P08842 1/20 0.35
RORC P51449 3/20 0.34
ENPP3 O14638 1/20 0.34
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
HRH1 P35367 1/20 0.33
HTR6 P50406 1/20 0.33
MCL1 Q07820 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
PPARG P37231 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GLA P06280 1/20 0.32
GAA P10253 1/20 0.32
ESR2 Q92731 1/20 0.32
IMPDH2 P12268 1/20 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
SCHEMBL22379626 1.00 PTGER4 (0.36) PTGER4STSRORCENPP3CA1
SCHEMBL22379180 0.95 STS (0.35) PTGER4STSRORCENPP3CA1
SCHEMBL22378306 0.95 STS (0.35) PTGER4STSRORCENPP3CA1
SCHEMBL22378627 0.93 MCL1 (0.34) PTGER4RORCENPP3CA1CA2
SCHEMBL22378944 0.93 MCL1 (0.34) PTGER4RORCENPP3CA1CA2
SCHEMBL22378829 0.92 KDM4E (0.34) PTGER4STSRORCENPP3HRH1
SCHEMBL22377965 0.92 KDM4E (0.34) PTGER4STSRORCENPP3HRH1
SCHEMBL22378397 0.91 CYP1A2 (0.38) MCL1CYP1A2CYP2C9CYP2C19NPSR1
SCHEMBL24830413 0.91 PTGER4 (0.38) PTGER4STSRORCENPP3HRH1
SCHEMBL21599446 0.90 RORC (0.35) PTGER4RORCENPP3HRH1HTR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11800797-B2 Heterocyclic compound and organic light-emitting device including the same SAMSUNG ELECTRONICS CO., LTD. (KR) 2023-10-24 US disclosed
US-11800797-B2 Heterocyclic compound and organic light-emitting device including the same SAMSUNG ELECTRONICS CO., LTD. (KR) 2023-10-24 US disclosed
US-20200274074-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG ELECTRONICS CO., LTD. (KR) 2020-08-27 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-20200274074-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME CRY1, CYP1A1, CRY2 PTGER4 1068/4885STS 3029/4885RORC 268/4885
US-11800797-B2 Heterocyclic compound and organic light-emitting device including the same CRY1, CYP1A1, CRY2 PTGER4 1068/4885STS 3029/4885RORC 268/4885

“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.