SCHEMBL3378726

SCHEMBL3378726

COc1cc(Nc2ncc(Br)c(NN)n2)cc(OC)c1

nearest known ligand 0.66

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 7/20 0.66
CHEK1 O14757 1/20 0.51
NTRK2 Q16620 1/20 0.51
HDAC3 O15379 1/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC2 Q92769 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
PTK2 Q05397 1/20 0.48
SYK P43405 6/20 0.47
BRD4 O60885 1/20 0.46
AURKA O14965 1/20 0.45
CDK19 Q9BWU1 1/20 0.45
ALK Q9UM73 1/20 0.45
ULK1 O75385 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
SCHEMBL3448802 0.82 IGF1R (0.58) IGF1RCHEK1NTRK2HDAC3HDAC1
SCHEMBL3345672 0.81 IGF1R (0.57) IGF1RCHEK1NTRK2HDAC3HDAC1
SCHEMBL3344762 0.81 IGF1R (0.57) IGF1RCHEK1NTRK2HDAC3HDAC1
SCHEMBL11345551 0.80 IGF1R (1.00) IGF1RCHEK1NTRK2HDAC3HDAC1
SCHEMBL3348225 0.79 IGF1R (0.55) IGF1RCHEK1NTRK2HDAC3HDAC1
SCHEMBL3447342 0.78 IGF1R (0.54) IGF1RCHEK1NTRK2HDAC3HDAC1
Hydrochloric Acid SCHEMBL3449249 0.77 IGF1R (0.53) IGF1RCHEK1NTRK2HDAC3HDAC1
SCHEMBL3450454 0.76 IGF1R (0.55) IGF1RCHEK1NTRK2HDAC3HDAC1
SCHEMBL3451135 0.76 IGF1R (0.53) IGF1RCHEK1NTRK2PTK2
SCHEMBL1039787 0.76 EGFR (0.59) IGF1RPTK2CDK19ALKULK1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100137313-A1 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB 2010-06-03 US disclosed
US-20100137313-A1 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB 2010-06-03 US disclosed
US-20100137313-A1 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB 2010-06-03 US disclosed
WO-2010038081-A2 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB (SE) 2010-04-08 WO disclosed
WO-2010038081-A2 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB (SE) 2010-04-08 WO 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-20100137313-A1 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF SDHA, SDHB, UROD IGF1R 4845/4885CHEK1 3477/4885NTRK2 4507/4885

“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.