SCHEMBL3449647

SCHEMBL3449647

O=C(O)C=Cc1cccc(-c2cnc(Nc3ccc4c(c3)CCC4)nc2-n2ccc(C(F)(F)F)n2)c1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTK2 Q05397 2/20 0.40
JAK2 O60674 1/20 0.40
MERTK Q12866 2/20 0.37
AXL P30530 1/20 0.37
TYRO3 Q06418 1/20 0.37
ALOX5 P09917 1/20 0.36
PIM2 Q9P1W9 4/20 0.35
BTK Q06187 2/20 0.35
RHOA P61586 1/20 0.35
SYK P43405 3/20 0.34
EGFR P00533 1/20 0.34
WEE1 P30291 2/20 0.34
FYN P06241 1/20 0.34
PIM1 P11309 1/20 0.34
CSNK2A2 P19784 1/20 0.34
CSNK2A1 P68400 1/20 0.34
ULK1 O75385 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
SCHEMBL3449645 1.00 PTK2 (0.40) PTK2JAK2MERTKAXLTYRO3
SCHEMBL13311797 0.90 SYK (0.38) PTK2JAK2MERTKAXLTYRO3
SCHEMBL3448099 0.87 MAOB (0.40) PIM2RHOASYKFYN
SCHEMBL3448101 0.87 MAOB (0.40) PIM2RHOASYKFYN
SCHEMBL3447801 0.87 MERTK (0.38) PTK2JAK2MERTKAXLTYRO3
SCHEMBL3447805 0.87 MERTK (0.38) PTK2JAK2MERTKAXLTYRO3
SCHEMBL3451242 0.86 SYK (0.41) MERTKTYRO3PIM2RHOASYK
SCHEMBL3451237 0.86 SYK (0.41) MERTKTYRO3PIM2RHOASYK
SCHEMBL3450407 0.86 IDH1 (0.42) PIM2RHOASYKFYN
SCHEMBL3450403 0.86 IDH1 (0.42) PIM2RHOASYKFYN

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 PTK2 3971/4885JAK2 1093/4885MERTK 1743/4885

“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.