SCHEMBL3344548

SCHEMBL3344548

COc1nc(Nc2cc(C)cc(C)c2)ncc1Br

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ULK1 O75385 4/20 0.47
IGF1R P08069 3/20 0.46
HDAC3 O15379 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
KDR P35968 3/20 0.45
AURKA O14965 1/20 0.45
AURKB Q96GD4 1/20 0.45
PRKAA2 P54646 1/20 0.45
PRKAA1 Q13131 1/20 0.45
ULK2 Q8IYT8 1/20 0.45
NPC1 O15118 1/20 0.43
TSHR P16473 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
SYK P43405 2/20 0.42
PTK2 Q05397 1/20 0.42
LRRK2 Q5S007 3/20 0.42
CDK2 P24941 3/20 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
SCHEMBL3344786 0.90 HDAC3 (0.51) ULK1IGF1RHDAC3HDAC1HDAC2
SCHEMBL3448802 0.85 IGF1R (0.58) ULK1IGF1RHDAC3HDAC1HDAC2
SCHEMBL13310454 0.80 IGF1R (0.62) ULK1IGF1RKDRAURKAAURKB
SCHEMBL16876365 0.79 LRRK2 (0.46) IGF1RHDAC3HDAC1HDAC2HDAC6
SCHEMBL17026278 0.79 SYK (0.53) ULK1IGF1RHDAC3HDAC1HDAC2
SCHEMBL3374215 0.78 IGF1R (0.48) IGF1RHDAC3HDAC1HDAC2HDAC6
SCHEMBL3351046 0.78 HDAC3 (0.51) IGF1RHDAC3HDAC1HDAC2HDAC6
SCHEMBL3450370 0.76 IGF1R (0.53) IGF1RHDAC3HDAC1HDAC2HDAC6
SCHEMBL3344041 0.76 ULK1 (0.57) ULK1KDRAURKASYKMAPT
SCHEMBL3449847 0.76 IGF1R (0.53) ULK1IGF1RHDAC3HDAC1HDAC2

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 ULK1 2054/4885IGF1R 4845/4885HDAC3 1200/4885

“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.