SCHEMBL3375916

SCHEMBL3375916

Cc1cc(C)cc(Nc2ncc(Br)c(-n3nc(C(F)(F)F)cc3C)n2)c1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SYK P43405 11/20 0.39
IGF1R P08069 1/20 0.39
MAPT P10636 4/20 0.38
POLB P06746 1/20 0.37
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
TP53 P04637 1/20 0.35
NPC1 O15118 1/20 0.35
TSHR P16473 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL3448602 0.94 HDAC3 (0.42) SYKIGF1RMAPTHDAC3HDAC1
SCHEMBL3378138 0.91 IGF1R (0.42) SYKIGF1RMAPTHDAC3HDAC1
SCHEMBL3450241 0.89 AURKA (0.46) SYKMAPTPOLBTP53SMN1; SMN2
SCHEMBL13311795 0.88 IGF1R (0.46) SYKIGF1RMAPTPOLBTP53
SCHEMBL3374643 0.87 IGF1R (0.47) SYKIGF1RMAPTHDAC3HDAC1
SCHEMBL3449945 0.84 TBK1 (0.43) SYKMAPTTP53
SCHEMBL3450710 0.84 HDAC3 (0.49) SYKIGF1RMAPTHDAC3HDAC1
SCHEMBL3449407 0.84 STIM1 (0.44) SYKIGF1RMAPTHDAC3HDAC1
SCHEMBL3376126 0.83 SYK (0.45) SYKIGF1RMAPTHDAC3HDAC1
SCHEMBL13310694 0.83 IDH1 (0.47) SYK

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 SYK 804/4885IGF1R 4845/4885MAPT 3947/4885

“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.