SCHEMBL22148484

SCHEMBL22148484

CCc1ccc(-n2c3cccc(C#N)c3c3c(C#N)cccc32)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.42
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
HPGD P15428 1/20 0.40
CYP2C19 P33261 1/20 0.40
TP53 P04637 1/20 0.40
MGLL Q99685 1/20 0.38
KDM4E B2RXH2 2/20 0.36
PPARG P37231 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
APOBEC3G Q9HC16 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
AR P10275 1/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.33
IMPDH2 P12268 1/20 0.33
SCN9A Q15858 1/20 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
SCHEMBL21076115 0.78 ALDH1A1 (0.43) HPGDMGLLKDM4ENPC1RAB9A
SCHEMBL22148481 0.72 TP53 (0.39) TP53MGLLKDM4ENPC1RAB9A
SCHEMBL22153413 0.71 ATM (0.55) KDM4ETDP1MAPTIMPDH2
SCHEMBL22153370 0.71 KDM4E (0.42) KDM4ETDP1MAPTIMPDH2SCN9A
SCHEMBL10067476 0.71 KDM4E (0.59) CYP1A2CYP3A4CYP2C9HPGDCYP2C19
SCHEMBL18030917 0.70 IMPDH2 (0.46) CYP1A2KDM4EMAPTIMPDH2
SCHEMBL17472236 0.70 KDM4E (0.53) CYP1A2CYP3A4CYP2C9HPGDCYP2C19
SCHEMBL18030983 0.70 GPR3 (0.43) HPGDKDM4EMAPTIMPDH2
SCHEMBL18031008 0.70 GPR3 (0.43) HPGDKDM4ENPC1RAB9AMAPT
SCHEMBL10190993 0.70 IMPDH2 (0.51) TDP1POLBMAPTIMPDH2

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-20200203622-A1 COMPOSITION OF MATTER FOR USE IN ORGANIC LIGHT-EMITTING DIODES KYULUX, INC. (JP) 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-20200203622-A1 COMPOSITION OF MATTER FOR USE IN ORGANIC LIGHT-EMITTING DIODES NDUFV3, NDUFV2, CRY2 CYP2A6 536/4885CYP1A2 134/4885CYP3A4 104/4885

“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.