SCHEMBL679102

SCHEMBL679102

Oc1ccc(-c2ccc3[nH]c4ncccc4c3c2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 3/20 0.52
CHEK1 O14757 1/20 0.48
MAPT P10636 4/20 0.45
CDK4 P11802 1/20 0.43
CCND1 P24385 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
CDK5 Q00535 3/20 0.42
CDK5R1 Q15078 3/20 0.42
GSK3A P49840 2/20 0.42
GSK3B P49841 2/20 0.42
CCNB2 O95067 1/20 0.42
CDK1 P06493 1/20 0.42
CCNB1 P14635 1/20 0.42
CCNB3 Q8WWL7 1/20 0.42
AURKA O14965 1/20 0.41
PARP1 P09874 1/20 0.41
ALK Q9UM73 2/20 0.41
ESR1 P03372 1/20 0.41
ESR2 Q92731 1/20 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
SCHEMBL12093381 0.88 ADORA2A (0.51) CHEK1MAPTMEN1KMT2AAURKA
SCHEMBL678677 0.81 ALK (0.58) RIPK1CHEK1MAPTMEN1KMT2A
SCHEMBL13460961 0.79 AXL (0.47) RIPK1CHEK1MAPTMEN1AURKA
SCHEMBL16475866 0.78 CHEK1 (0.45) CHEK1MAPTMEN1KMT2AAURKA
SCHEMBL16761004 0.78 ADORA2A (0.48) CHEK1MAPTCDK4CCND1MEN1
SCHEMBL678785 0.78 DYRK1A (0.44) RIPK1CHEK1CDK4CCND1
SCHEMBL1586081 0.78 MAPT (0.49) RIPK1CHEK1MAPTMEN1KMT2A
SCHEMBL679074 0.77 MEN1 (0.53) CHEK1MAPTMEN1KMT2AALK
SCHEMBL676863 0.75 TLR8 (0.50) CHEK1MAPTMEN1KMT2AAURKA
SCHEMBL18597137 0.75 MAPT (0.53) CHEK1MAPTCDK4CCND1AURKA

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 RIPK1 1355/4885CHEK1 1744/4885MAPT 1494/4885

“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.