SCHEMBL21840873

SCHEMBL21840873

CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1c(-c2ccccc2)c(-n2c3ccc(C(C)(C)C)cc3c3cc(C(C)(C)C)ccc32)c(-n2c3ccccc3c3ccccc32)c(C#N)c1-n1c2ccccc2c2ccccc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 1/20 0.38
NRP1 O14786 1/20 0.37
PDE9A O76083 2/20 0.37
PDE1C Q14123 1/20 0.37
SERPINE1 P05121 1/20 0.35
KDM4E B2RXH2 4/20 0.35
NPSR1 Q6W5P4 2/20 0.35
RORC P51449 2/20 0.35
MAPT P10636 2/20 0.35
ALDH1A1 P00352 4/20 0.34
RXFP1 Q9HBX9 2/20 0.34
MAPK1 P28482 1/20 0.34
STAT3 P40763 1/20 0.34
PGR P06401 1/20 0.34
RORA P35398 1/20 0.34
RORB Q92753 1/20 0.34
LMNA P02545 1/20 0.34
NCOA3 Q9Y6Q9 1/20 0.34
GRIA2 P42262 2/20 0.34
GRIA4 P48058 2/20 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
SCHEMBL25761447 1.00 HTR3A (0.38) HTR3ANRP1PDE9APDE1CSERPINE1
SCHEMBL20596390 1.00 HTR3A (0.38) HTR3ANRP1PDE9APDE1CSERPINE1
SCHEMBL21840841 0.96 SERPINE1 (0.37) HTR3ANRP1SERPINE1KDM4ENPSR1
SCHEMBL22036391 0.95 NRP1 (0.39) NRP1PDE9APDE1CSERPINE1KDM4E
SCHEMBL24077307 0.95 HTR3A (0.38) HTR3ANRP1PDE9APDE1CSERPINE1
SCHEMBL20596470 0.95 HTR3A (0.38) HTR3ANRP1PDE9APDE1CSERPINE1
SCHEMBL20596389 0.95 HTR3A (0.38) HTR3ANRP1PDE9APDE1CSERPINE1
SCHEMBL20596487 0.94 SERPINE1 (0.37) HTR3ANRP1PDE9APDE1CSERPINE1
SCHEMBL23629572 0.94 SERPINE1 (0.36) HTR3ANRP1SERPINE1KDM4ENPSR1
SCHEMBL20596551 0.93 HTR3A (0.38) HTR3ANRP1PDE9APDE1CSERPINE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11638390-B2 Composition of matter for use in organic light-emitting diodes KYULUX, INC. (JP) 2023-04-25 US disclosed
US-20200119287-A1 COMPOSITION OF MATTER FOR USE IN ORGANIC LIGHT-EMITTING DIODES KYULUX, INC. (JP) 2020-04-16 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-20200119287-A1 COMPOSITION OF MATTER FOR USE IN ORGANIC LIGHT-EMITTING DIODES CRY2, CLTB, CYBA HTR3A 605/4885NRP1 992/4885PDE9A 4262/4885
US-11638390-B2 Composition of matter for use in organic light-emitting diodes CRY2, CLTB, CYBA HTR3A 605/4885NRP1 992/4885PDE9A 4262/4885

“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.