SCHEMBL3450357

SCHEMBL3450357

CC1(C)C(C(=O)O)C1c1cccc(-c2cnc(Nc3ccc(F)cc3)nc2-n2ccc(C(F)(F)F)n2)c1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MARK3 P27448 1/20 0.39
SYK P43405 7/20 0.36
CTSC P53634 1/20 0.35
STK4 Q13043 2/20 0.35
PTK2 Q05397 1/20 0.35
PTGS2 P35354 1/20 0.35
RAF1 P04049 1/20 0.34
BRAF P15056 1/20 0.34
MAPT P10636 2/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
MAPK1 P28482 1/20 0.34
MAPK10 P53779 1/20 0.34
IDH1 O75874 2/20 0.34
EGFR P00533 1/20 0.34
ITK Q08881 1/20 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
SCHEMBL13311677 1.00 MARK3 (0.39) MARK3SYKCTSCSTK4PTK2
SCHEMBL3374043 0.90 MAPT (0.36) SYKMAPTRAB9AEGFR
SCHEMBL13311680 0.90 MAPT (0.36) SYKMAPTRAB9AEGFR
SCHEMBL13421412 0.86 IDH1 (0.39) MARK3CTSCSTK4RAB9AMAPK10
SCHEMBL3448982 0.82 TYRO3 (0.35) SYKMAPTRAB9AEGFRITK
SCHEMBL3450532 0.82 TYRO3 (0.35) SYKMAPTRAB9AEGFRITK
SCHEMBL3448980 0.82 TYRO3 (0.35) SYKMAPTRAB9AEGFRITK
SCHEMBL13311687 0.78 SYK (0.38) SYKMAPTRAB9AEGFR
SCHEMBL3377742 0.78 SYK (0.38) SYKMAPTRAB9AEGFR
SCHEMBL13311695 0.78 SYK (0.38) SYKMAPTRAB9AEGFR

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 1 patent. 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

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 MARK3 4802/4885SYK 804/4885CTSC 1252/4885

“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.