SCHEMBL22147648

SCHEMBL22147648

N#Cc1cc(N2c3ccccc3C3(c4ccccc4-c4ccccc43)c3ccccc32)c(C#N)cc1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.34
CYP2C9 P11712 3/20 0.34
CYP2C19 P33261 3/20 0.34
NPSR1 Q6W5P4 1/20 0.34
ALDH1A1 P00352 4/20 0.33
KDM4E B2RXH2 1/20 0.33
HTT P42858 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
ABCG2 Q9UNQ0 6/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
ABCB1 P08183 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HIF1A Q16665 1/20 0.32
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32
GABRA5 P31644 1/20 0.32
GABRA3 P34903 1/20 0.32
ADORA2A P29274 2/20 0.32
ADORA1 P30542 2/20 0.32

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
SCHEMBL22147588 0.92 CYP1A2 (0.34) CYP1A2CYP2C9CYP2C19NPSR1ALDH1A1
SCHEMBL22147625 0.91 CYP1A2 (0.32) CYP1A2CYP2C9CYP2C19NPSR1ALDH1A1
SCHEMBL22147624 0.89 CYP1A2 (0.36) CYP1A2CYP2C9CYP2C19NPSR1ALDH1A1
SCHEMBL22147586 0.89 CYP1A2 (0.32) CYP1A2CYP2C9CYP2C19NPSR1ALDH1A1
SCHEMBL22147651 0.89 CYP1A2 (0.32) CYP1A2CYP2C9CYP2C19NPSR1ALDH1A1
SCHEMBL22147499 0.88 ALDH1A1 (0.38) CYP1A2CYP2C9CYP2C19NPSR1ALDH1A1
SCHEMBL22147493 0.88 ALDH1A1 (0.38) CYP1A2CYP2C9CYP2C19NPSR1ALDH1A1
SCHEMBL22147587 0.87 CYP1A2 (0.31) CYP1A2CYP2C9CYP2C19NPSR1
SCHEMBL22147618 0.86 ALDH1A1 (0.36) CYP1A2CYP2C9CYP2C19NPSR1ALDH1A1
SCHEMBL22147486 0.86 ALDH1A1 (0.36) CYP1A2CYP2C9CYP2C19NPSR1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200199149-A1 ORGANIC COMPOUND, ORGANIC LIGHT EMITTING DIODE AND ORGANIC LIGHT EMITTING DEVICE HAVING THE COMPOUND LG DISPLAY CO., LTD. (KR) 2020-06-25 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 (1 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-20200199149-A1 ORGANIC COMPOUND, ORGANIC LIGHT EMITTING DIODE AND ORGANIC LIGHT EMITTING DEVICE HAVING THE COMPOUND OCIAD1, OSTC, OCIAD2 CYP1A2 687/4885CYP2C9 490/4885CYP2C19 584/4885

“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.