SCHEMBL678690

SCHEMBL678690

Cn1c2ccccc2c2c(Cl)ccnc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 1/20 0.44
GABRP O00591 3/20 0.43
GABRD O14764 3/20 0.43
GABRA1 P14867 3/20 0.43
GABRB1 P18505 3/20 0.43
GABRG2 P18507 3/20 0.43
GABRB3 P28472 3/20 0.43
GABRA5 P31644 3/20 0.43
GABRA3 P34903 3/20 0.43
GABRA2 P47869 3/20 0.43
GABRB2 P47870 3/20 0.43
GABRA4 P48169 3/20 0.43
GABRE P78334 3/20 0.43
GABRA6 Q16445 3/20 0.43
GABRG1 Q8N1C3 3/20 0.43
GABRG3 Q99928 3/20 0.43
GABRQ Q9UN88 3/20 0.43
UTS2R Q9UKP6 1/20 0.42
EGFR P00533 1/20 0.41
KDM4E B2RXH2 3/20 0.41

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
SCHEMBL7222201 0.77 EGFR (0.50) GPR3GABRPGABRDGABRA1GABRB1
SCHEMBL10548506 0.75 UTS2R (0.52) GPR3GABRPGABRDGABRA1GABRB1
SCHEMBL675524 0.74 UTS2R (0.37) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL679430 0.73 ALK (0.44) GPR3GABRPGABRDGABRA1GABRB1
SCHEMBL15387600 0.73 LMNA (0.39) GPR3GABRPGABRDGABRA1GABRB1
SCHEMBL280139 0.73 GPR3 (0.58) GPR3EGFRKDM4EMAPTLMNA
SCHEMBL18381782 0.72 GPR3 (0.56) GPR3EGFRKDM4EMAPTLMNA
SCHEMBL2628311 0.72 GPR3 (0.50) GPR3GABRPGABRDGABRA1GABRB1
SCHEMBL12395961 0.71 CDC7 (0.31)
SCHEMBL679335 0.70 UTS2R (0.43) GPR3GABRPGABRDGABRA1GABRB1

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 1443/4885GABRP 1612/4885GABRD 2488/4885

“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.