SCHEMBL3451016

SCHEMBL3451016

CCOC(=O)c1cncc(-c2cnc(Nc3cc(Cl)cc(OC)c3)nc2-n2nc(C(F)(F)F)cc2C)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.40
HDAC3 O15379 2/20 0.37
HDAC1 Q13547 2/20 0.37
HDAC2 Q92769 2/20 0.37
HDAC6 Q9UBN7 2/20 0.37
FGFR1 P11362 2/20 0.37
PAK1 Q13153 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
ATF1 P18846 1/20 0.36
NFKB1 P19838 1/20 0.36
CYP3A4 P08684 1/20 0.35
ADORA2A P29274 1/20 0.35
ADORA1 P30542 1/20 0.35
CNR2 P34972 2/20 0.35
STIM1 Q13586 1/20 0.35
ORAI1 Q96D31 1/20 0.35
SIRT5 Q9NXA8 1/20 0.34
TYRO3 Q06418 1/20 0.34
MERTK Q12866 1/20 0.34
BTK Q06187 2/20 0.34

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
SCHEMBL3450368 0.95 SYK (0.42) SYKHDAC3HDAC1HDAC2HDAC6
SCHEMBL3448646 0.93 SYK (0.41) SYKHDAC3HDAC1HDAC2HDAC6
SCHEMBL3449133 0.92 HDAC3 (0.44) SYKHDAC3HDAC1HDAC2HDAC6
SCHEMBL3451182 0.92 SYK (0.40) SYKHDAC3HDAC1HDAC2HDAC6
SCHEMBL3447204 0.91 HDAC3 (0.37) SYKHDAC3HDAC1HDAC2HDAC6
SCHEMBL3447421 0.90 SYK (0.39) SYKHDAC3HDAC1HDAC2HDAC6
SCHEMBL13311988 0.90 SYK (0.38) SYKHDAC3HDAC1HDAC2HDAC6
SCHEMBL3375394 0.90 MAPT (0.41) SYKHDAC3HDAC1HDAC2HDAC6
SCHEMBL3447149 0.89 SYK (0.39) SYKFGFR1PAK1ATF1NFKB1
SCHEMBL3449523 0.88 SYK (0.49) SYKFGFR1PAK1CNR2SIRT5

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 804/4885HDAC3 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.