SCHEMBL678771

SCHEMBL678771

CCCC#Cc1ccc2c3ccccc3n(C)c2n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 1/20 0.40
LMNA P02545 3/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
PGR P06401 1/20 0.38
RORA P35398 1/20 0.38
RORC P51449 1/20 0.38
RORB Q92753 1/20 0.38
MAPT P10636 4/20 0.36
GABRP O00591 2/20 0.36
GABRD O14764 2/20 0.36
GABRA1 P14867 2/20 0.36
GABRB1 P18505 2/20 0.36
GABRG2 P18507 2/20 0.36
GABRB3 P28472 2/20 0.36
GABRA5 P31644 2/20 0.36
GABRA3 P34903 2/20 0.36
GABRA2 P47869 2/20 0.36
GABRB2 P47870 2/20 0.36
GABRA4 P48169 2/20 0.36

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
SCHEMBL679421 0.79 L3MBTL1 (0.49) GPR3LMNAL3MBTL1SMN1; SMN2POLB
SCHEMBL678838 0.73 CRHBP (0.46) LMNASMN1; SMN2MAPTTSHRMAPK1
SCHEMBL675115 0.71 CA5A (0.48) GPR3LMNASMN1; SMN2MAPTGABRP
SCHEMBL679335 0.71 UTS2R (0.43) GPR3LMNAL3MBTL1MAPTGABRP
SCHEMBL679427 0.71 RAB9A (0.55) GPR3LMNASMN1; SMN2MAPTHKDC1
SCHEMBL17109976 0.70 GPR3 (0.54) GPR3L3MBTL1SMN1; SMN2MAPTGABRP
SCHEMBL679189 0.68 GPR3 (0.52) GPR3LMNAL3MBTL1SMN1; SMN2MAPT
SCHEMBL23373435 0.67 GPR3 (0.50) GPR3LMNAL3MBTL1SMN1; SMN2PGR
SCHEMBL9968082 0.66 GPR3 (0.48) GPR3LMNAL3MBTL1SMN1; SMN2MAPT
SCHEMBL739635 0.65 GRM5 (0.40) LMNAMAPTALDH1A1KDM4EHPGD

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 GPR3 1443/4885LMNA 1863/4885L3MBTL1 1883/4885

“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.