SCHEMBL3447342

SCHEMBL3447342

COc1cc(Nc2ncc(Br)c(NCCCN(C)C)n2)cc(OC)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 6/20 0.54
TBK1 Q9UHD2 3/20 0.49
CHEK1 O14757 2/20 0.48
STK17B O94768 1/20 0.47
STK17A Q9UEE5 1/20 0.47
SIRT5 Q9NXA8 1/20 0.44
NTRK2 Q16620 1/20 0.43
FLT3 P36888 1/20 0.42
CDK1 P06493 2/20 0.41
CDK2 P24941 2/20 0.41
SYK P43405 1/20 0.41
CCNB1 P14635 1/20 0.41
CCNE1 P24864 1/20 0.41
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
KDM1A O60341 1/20 0.41
EHMT2 Q96KQ7 1/20 0.41
RCOR1 Q9UKL0 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
Hydrochloric Acid SCHEMBL3449249 0.99 IGF1R (0.53) IGF1RTBK1CHEK1STK17BSTK17A
SCHEMBL3447336 0.90 CHEK1 (0.51) IGF1RTBK1CHEK1STK17BSTK17A
SCHEMBL13310326 0.84 STK17A (0.57) IGF1RTBK1CHEK1STK17BSTK17A
Hydrochloric Acid SCHEMBL3448826 0.83 STK17A (0.56) IGF1RTBK1CHEK1STK17BSTK17A
SCHEMBL13311277 0.82 CHEK1 (0.42) IGF1RCHEK1STK17BSTK17ASIRT5
SCHEMBL3447534 0.81 CHEK1 (0.54) IGF1RTBK1CHEK1STK17BSTK17A
SCHEMBL13310320 0.79 STK17A (0.56) IGF1RTBK1CHEK1STK17BSTK17A
SCHEMBL3451135 0.78 IGF1R (0.53) IGF1RTBK1CHEK1STK17BSTK17A
Hydrochloric Acid SCHEMBL3449916 0.78 STK17A (0.55) IGF1RTBK1CHEK1STK17BSTK17A
SCHEMBL3378726 0.78 IGF1R (0.66) IGF1RCHEK1NTRK2SYKHDAC3

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-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

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 4845/4885TBK1 1295/4885CHEK1 3477/4885

“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.