SCHEMBL679347

SCHEMBL679347

O=C(Nc1ccc2[nH]c3ncccc3c2c1)c1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.67
JAK2 O60674 2/20 0.56
JAK1 P23458 1/20 0.56
PABPC1 P11940 1/20 0.55
AURKA O14965 1/20 0.53
MAPK13 O15264 1/20 0.53
CHEK2 O96017 1/20 0.53
NTRK1 P04629 1/20 0.53
RET P07949 1/20 0.53
HCK P08631 1/20 0.53
FGFR1 P11362 1/20 0.53
FLT4 P35916 1/20 0.53
LIMK1 P53667 1/20 0.53
SIK1 P57059 1/20 0.53
TNK2 Q07912 1/20 0.53
AURKB Q96GD4 1/20 0.53
WNK3 Q9BYP7 1/20 0.53
ITK Q08881 2/20 0.53
STK17B O94768 1/20 0.53
STK17A Q9UEE5 1/20 0.53

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
SCHEMBL15532319 0.84 BRD4 (0.77) BRD4JAK2JAK1ITKSTK17B
SCHEMBL677456 0.80 ALK (0.47) AURKANPC1RAB9AKMT2AALDH1A1
SCHEMBL4725184 0.79 NPY5R (0.65) BRD4JAK2JAK1ITKSTK17B
SCHEMBL676547 0.78 GSK3B (0.55) AURKAFGFR1KMT2AALDH1A1MAPT
SCHEMBL4961015 0.77 CHEK1 (0.53) AURKAKMT2AMAPTKDM4EMTNR1A
SCHEMBL684505 0.77 KMT2A (0.51) NPC1RAB9AKMT2AALDH1A1SMN1; SMN2
SCHEMBL675383 0.77 ERBB2 (0.55) AURKANPC1RAB9AKMT2AALDH1A1
SCHEMBL27809623 0.76 BRAF (0.61) BRD4JAK2JAK1ITKSTK17B
SCHEMBL1181450 0.76 ROCK2 (0.48) AURKAMAOAKMT2AMAPTKDM4E
SCHEMBL14594978 0.75 BRD4 (0.68) BRD4ITKALDH1A1SMN1; SMN2

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 3 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-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 BRD4 944/4885JAK2 201/4885JAK1 364/4885

“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.