SCHEMBL3345672

SCHEMBL3345672

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

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 6/20 0.57
HDAC3 O15379 2/20 0.51
HDAC1 Q13547 2/20 0.51
HDAC2 Q92769 2/20 0.51
HDAC6 Q9UBN7 2/20 0.51
BRD4 O60885 1/20 0.46
EGFR P00533 1/20 0.45
FGFR1 P11362 1/20 0.45
CHEK1 O14757 1/20 0.43
NTRK2 Q16620 1/20 0.43
PLK1 P53350 1/20 0.43
SYK P43405 3/20 0.43
SRC P12931 1/20 0.43
ZAP70 P43403 1/20 0.43
MAPT P10636 1/20 0.42
PTK2 Q05397 1/20 0.41
CDK2 P24941 2/20 0.40
CDK4 P11802 1/20 0.40
GSK3B P49841 1/20 0.40
CCNA2 P20248 1/20 0.40

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
SCHEMBL3448950 0.93 IGF1R (0.51) IGF1RHDAC3HDAC1HDAC2HDAC6
SCHEMBL3450370 0.92 IGF1R (0.53) IGF1RHDAC3HDAC1HDAC2HDAC6
SCHEMBL3447129 0.86 IGF1R (0.46) IGF1RHDAC3HDAC1HDAC2HDAC6
SCHEMBL3448802 0.84 IGF1R (0.58) IGF1RHDAC3HDAC1HDAC2HDAC6
SCHEMBL17544626 0.83 PTK2 (0.59) IGF1RBRD4EGFRPLK1ZAP70
SCHEMBL3344762 0.82 IGF1R (0.57) IGF1RHDAC3HDAC1HDAC2HDAC6
SCHEMBL3378726 0.81 IGF1R (0.66) IGF1RHDAC3HDAC1HDAC2HDAC6
SCHEMBL3374215 0.80 IGF1R (0.48) IGF1RHDAC3HDAC1HDAC2HDAC6
SCHEMBL3348225 0.80 IGF1R (0.55) IGF1RHDAC3HDAC1HDAC2HDAC6
SCHEMBL3448147 0.80 IGF1R (0.49) IGF1RHDAC3HDAC1HDAC2HDAC6

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 4845/4885HDAC3 1200/4885HDAC1 1109/4885

“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.