SCHEMBL31663529

SCHEMBL31663529

Cc1cccc(-c2cc(C#N)c(-c3ccccc3)c(-c3ccccc3)c2)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 2/20 0.46
CYP1A2 P05177 3/20 0.45
CYP2C9 P11712 3/20 0.45
CYP2C19 P33261 3/20 0.45
NPSR1 Q6W5P4 1/20 0.45
GRM5 P41594 1/20 0.45
ALDH1A1 P00352 6/20 0.42
KDM4E B2RXH2 4/20 0.42
HPGD P15428 2/20 0.42
HSD17B10 Q99714 1/20 0.42
GALR3 O60755 1/20 0.42
GAA P10253 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
MAPT P10636 1/20 0.41
CYP2A6 P11509 1/20 0.40
HTT P42858 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
LMNA P02545 1/20 0.40
THRB P10828 1/20 0.40

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
SCHEMBL31663547 0.89 KMT2A (0.48) CYP1A2CYP2C9CYP2C19NPSR1ALDH1A1
SCHEMBL31663548 0.83 ALDH1A1 (0.49) CYP1A2CYP2C9CYP2C19NPSR1GRM5
SCHEMBL31663543 0.81 CYP1A2 (0.51) CYP1A2CYP2C9CYP2C19NPSR1GRM5
SCHEMBL31663588 0.80 TGFBR1 (0.45) TGFBR1CYP1A2CYP2C9CYP2C19NPSR1
SCHEMBL31663508 0.79 GRIA1 (0.51) TGFBR1CYP1A2CYP2C9CYP2C19NPSR1
SCHEMBL31663512 0.79 ADORA1 (0.49) CYP1A2CYP2C9CYP2C19NPSR1ALDH1A1
SCHEMBL31663532 0.77 NPSR1 (0.44) CYP1A2CYP2C9CYP2C19NPSR1ALDH1A1
SCHEMBL31663614 0.76 AR (0.48) CYP1A2CYP2C9CYP2C19NPSR1ALDH1A1
SCHEMBL31663537 0.75 KDM4E (0.50) TGFBR1CYP1A2CYP2C9CYP2C19NPSR1
SCHEMBL31663552 0.73 TGFBR1 (0.53) TGFBR1CYP2A6CCR1CCR8

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-20250359476-A1 COMPOSITION OF MATTER FOR USE IN ORGANIC LIGHT-EMITTING DIODES KYULUX INC (JP) 2025-11-20 US disclosed
US-12369492-B2 Composition of matter for use in organic light-emitting diodes KYULUX, INC. (JP) 2025-07-22 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-20250359476-A1 COMPOSITION OF MATTER FOR USE IN ORGANIC LIGHT-EMITTING DIODES CRY2, SLCO1B3, NDUFV3 TGFBR1 4281/4885CYP1A2 540/4885CYP2C9 925/4885
US-12369492-B2 Composition of matter for use in organic light-emitting diodes CRY2, SLCO1B3, NDUFV3 TGFBR1 4281/4885CYP1A2 540/4885CYP2C9 925/4885

“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.