SCHEMBL3700264

SCHEMBL3700264

COc1cnc2[nH]cc(C(=O)c3cc(C(N)=O)ccc3F)c2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 3/20 0.45
MTNR1A P48039 1/20 0.43
MTNR1B P49286 1/20 0.43
DYRK1A Q13627 3/20 0.42
CLK1 P49759 2/20 0.42
MAP3K11 Q16584 1/20 0.42
PAK1 Q13153 2/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
AXL P30530 5/20 0.40
BRAF P15056 3/20 0.39
MKNK2 Q9HBH9 2/20 0.39
MKNK1 Q9BUB5 1/20 0.39
FES P07332 3/20 0.38
CSF1R P07333 3/20 0.38
FLT3 P36888 3/20 0.38
CLK2 P49760 3/20 0.38
BLK P51451 3/20 0.38
AURKB Q96GD4 3/20 0.38
SLK Q9H2G2 3/20 0.38

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
SCHEMBL3700265 0.87 MTNR1A (0.44) AAK1MTNR1AMTNR1BDYRK1ACLK1
SCHEMBL3707415 0.86 BRAF (0.52) AAK1DYRK1ACLK1MAP3K11PAK1
SCHEMBL3697175 0.84 BRAF (0.49) DYRK1ACLK1MAP3K11PAK1CYP2C9
SCHEMBL3711724 0.84 AAK1 (0.55) AAK1MTNR1AMTNR1BDYRK1AMAP3K11
SCHEMBL3505473 0.84 BRAF (0.52) AAK1DYRK1ACLK1MAP3K11PAK1
SCHEMBL2356427 0.82 BRAF (0.50) CLK1PAK1CYP2D6CYP2C9BRAF
SCHEMBL3507600 0.82 AAK1 (0.46) AAK1MTNR1AMTNR1BPAK1CYP2D6
SCHEMBL3504120 0.80 BRAF (0.54) AAK1DYRK1AMAP3K11PAK1CYP2C9
SCHEMBL3711232 0.79 CAMKK2 (0.54) DYRK1AAXLBRAFFESCSF1R
SCHEMBL298805 0.79 CYP2C9 (0.50) CLK1PAK1CYP2D6CYP2C9BRAF

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120122860-A1 SOLID FORMS OF SULFONAMIDES AND AMINO ACIDS PLEXXIKON, INC. 2012-05-17 US disclosed
WO-2010129570-A1 SOLID FORMS OF SULFONAMIDES AND AMINO ACIDS PLEXXIKON, INC. (US) 2010-11-11 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-20120122860-A1 SOLID FORMS OF SULFONAMIDES AND AMINO ACIDS BRAF, RAF1, ARAF AAK1 247/4885MTNR1A 3999/4885MTNR1B 4356/4885

“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.