SCHEMBL679335

SCHEMBL679335

CCCC#Cc1ccnc2c1c1ccccc1n2C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 2/20 0.43
ALK Q9UM73 1/20 0.40
EGFR P00533 1/20 0.37
LMNA P02545 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
TLR8 Q9NR97 1/20 0.36
GABRP O00591 4/20 0.35
GABRD O14764 4/20 0.35
GABRA1 P14867 4/20 0.35
GABRB1 P18505 4/20 0.35
GABRG2 P18507 4/20 0.35
GABRB3 P28472 4/20 0.35
GABRA5 P31644 4/20 0.35
GABRA3 P34903 4/20 0.35
GABRA2 P47869 4/20 0.35
GABRB2 P47870 4/20 0.35
GABRA4 P48169 4/20 0.35
GABRE P78334 4/20 0.35
GABRA6 Q16445 4/20 0.35
GABRG1 Q8N1C3 4/20 0.35

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
SCHEMBL676070 0.81 UTS2R (0.33) UTS2RLMNATLR8MAPT
SCHEMBL679430 0.80 ALK (0.44) UTS2RALKEGFRL3MBTL1GABRP
SCHEMBL677949 0.72 RAB9A (0.50) UTS2RALKEGFRLMNAGABRP
SCHEMBL678771 0.71 GPR3 (0.40) LMNAL3MBTL1GABRPGABRDGABRA1
SCHEMBL678690 0.70 GPR3 (0.44) UTS2REGFRLMNAL3MBTL1GABRP
SCHEMBL24405378 0.64 CYP1A2 (0.35) L3MBTL1TLR8MYLK
SCHEMBL15387600 0.64 LMNA (0.39) UTS2REGFRLMNAL3MBTL1GABRP
SCHEMBL280139 0.64 GPR3 (0.58) EGFRLMNAL3MBTL1GPR3MAPT
SCHEMBL18381782 0.63 GPR3 (0.56) EGFRLMNAL3MBTL1GPR3MAPT
SCHEMBL2628311 0.63 GPR3 (0.50) LMNAL3MBTL1GABRPGABRDGABRA1

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-8895744-B2 Alfa-carboline inhibitors of NPM-ALK, RET, and Bcr-Abl UNIVERSITA' DEGLI STUDI DI MILANO-BICOCCA (IT) 2014-11-25 US disclosed
US-20110281862-A1 ALFA-CARBOLINE INHIBITORS OF NPM-ALK, RET, AND BCR-ABL UNIVERSITA' DEGLI STUDI DI MILANO - BICOCCA (IT) 2011-11-17 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-20110281862-A1 ALFA-CARBOLINE INHIBITORS OF NPM-ALK, RET, AND BCR-ABL ALK, BCR, NPM1 UTS2R 4708/4885ALK 1/4885EGFR 226/4885

“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.