SCHEMBL3700265

SCHEMBL3700265

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.44
MTNR1B P49286 1/20 0.44
BRAF P15056 4/20 0.44
AAK1 Q2M2I8 1/20 0.42
AXL P30530 4/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
KIT P10721 5/20 0.40
CYP2C19 P33261 2/20 0.40
CLK1 P49759 2/20 0.39
BMPR1B O00238 1/20 0.39
PLK4 O00444 1/20 0.39
PIR O00625 1/20 0.39
AURKA O14965 1/20 0.39
DCLK1 O15075 1/20 0.39
EPHB6 O15197 1/20 0.39
RIPK2 O43353 1/20 0.39
STK16 O75716 1/20 0.39
OXSR1 O95747 1/20 0.39
MAP4K4 O95819 1/20 0.39

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
SCHEMBL3700264 0.87 AAK1 (0.45) MTNR1AMTNR1BBRAFAAK1AXL
SCHEMBL3707417 0.85 BRAF (0.53) BRAFAXLCYP2C9KITCYP2C19
SCHEMBL299000 0.84 BRAF (0.51) BRAFCYP2C9KITCYP2C19CLK1
SCHEMBL3505477 0.83 BRAF (0.54) BRAFCYP2C9KITCYP2C19CLK1
SCHEMBL298805 0.83 CYP2C9 (0.50) BRAFCYP2D6CYP2C9KITCYP2C19
SCHEMBL3507602 0.81 CYP2C9 (0.45) MTNR1AMTNR1BAAK1AXLCYP2D6
SCHEMBL3698741 0.81 AAK1 (0.53) MTNR1AMTNR1BAAK1AXLKIT
SCHEMBL857286 0.80 BRAF (0.52) BRAFAAK1AXLCYP2D6CYP2C9
SCHEMBL858764 0.80 AXL (0.58) BRAFAAK1AXLKITPLK4
SCHEMBL2356427 0.80 BRAF (0.50) BRAFCYP2D6CYP2C9KITCYP2C19

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 MTNR1A 3999/4885MTNR1B 4356/4885BRAF 1/4885

“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.