SCHEMBL679074

SCHEMBL679074

CCCCOc1ccc(-c2ccc3[nH]c4ncccc4c3c2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
CYP2D6 P10635 10/20 0.52
CYP19A1 P11511 8/20 0.52
CYP2C9 P11712 8/20 0.52
CYP2C19 P33261 8/20 0.52
CYP3A4 P08684 7/20 0.52
CTSV O60911 1/20 0.50
CTSL P07711 1/20 0.50
CYP1A2 P05177 7/20 0.47
GABRP O00591 1/20 0.44
GABRD O14764 1/20 0.44
GABRA1 P14867 1/20 0.44
GABRB1 P18505 1/20 0.44
GABRG2 P18507 1/20 0.44
GABRB3 P28472 1/20 0.44
GABRA5 P31644 1/20 0.44
GABRA3 P34903 1/20 0.44
GABRA2 P47869 1/20 0.44
GABRB2 P47870 1/20 0.44

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
SCHEMBL678677 0.84 ALK (0.58) MEN1KMT2ACHEK1MAPTALK
SCHEMBL11927556 0.82 MEN1 (0.54) MEN1KMT2ACYP2D6CYP19A1CYP2C9
SCHEMBL2920907 0.80 RARB (0.52) MEN1KMT2ACYP2D6CYP19A1CYP2C9
SCHEMBL12093381 0.80 ADORA2A (0.51) MEN1KMT2ACHEK1MAPTALK
SCHEMBL679102 0.77 RIPK1 (0.52) MEN1KMT2ACHEK1MAPTALK
SCHEMBL31451631 0.76 MEN1 (0.61) MEN1KMT2ACHEK1MAPT
SCHEMBL21442845 0.73 RARB (0.50) MEN1KMT2ACYP2D6CYP19A1CYP2C9
SCHEMBL19910968 0.73 CYP2D6 (0.54) CYP2D6CYP19A1CYP2C9CYP2C19CYP3A4
SCHEMBL3432969 0.73 LSS (0.42) CTSVCTSL
SCHEMBL3733141 0.73 LSS (0.42) CTSVCTSLMAPT

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 MEN1 1324/4885KMT2A 492/4885CYP2D6 4105/4885

“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.