SCHEMBL3450276

SCHEMBL3450276

Cc1cc(F)cc(Nc2ncc(-c3cncc(C(=O)O)c3)c(-n3ccc(C(F)(F)F)n3)n2)c1

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SYK P43405 10/20 0.50
NPC1 O15118 1/20 0.41
MAPT P10636 1/20 0.41
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
IDH1 O75874 2/20 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
SCHEMBL3448324 0.95 SYK (0.48) SYKNPC1MAPT
SCHEMBL3448344 0.94 IDH1 (0.44) SYKIDH1
SCHEMBL3449839 0.90 SYK (0.43) SYKNPC1MAPTHDAC3HDAC1
SCHEMBL3450083 0.90 SYK (0.42) SYKNPC1MAPT
SCHEMBL13312523 0.90 SYK (0.41) SYKHDAC3HDAC1HDAC2HDAC6
SCHEMBL3450666 0.89 SYK (0.45) SYKNPC1MAPT
SCHEMBL13312071 0.89 SYK (0.42) SYKNPC1MAPT
SCHEMBL3447808 0.89 SYK (0.53) SYKNPC1MAPTIDH1
SCHEMBL3448436 0.89 SYK (0.46) SYK
SCHEMBL3376553 0.86 PDGFRB (0.40) SYKHDAC3HDAC1HDAC2HDAC6

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 SYK 804/4885NPC1 603/4885MAPT 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.