SCHEMBL3377758

SCHEMBL3377758

COc1cccc(-c2cnc(Nc3ccc(F)c(Cl)c3)nc2-n2ccc(C(F)(F)F)n2)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 2/20 0.40
GSK3B P49841 2/20 0.40
GABRA1 P14867 1/20 0.40
GABRG2 P18507 1/20 0.40
GABRB3 P28472 1/20 0.40
GABRA3 P34903 1/20 0.40
TGFBR1 P36897 6/20 0.38
APP P05067 1/20 0.38
MAPK1 P28482 1/20 0.38
ULK1 O75385 1/20 0.38
CTSC P53634 1/20 0.37
ABL1 P00519 1/20 0.37
EGFR P00533 1/20 0.36
PDGFRB P09619 1/20 0.36
FGFR1 P11362 1/20 0.36
SRC P12931 1/20 0.36
PDGFRA P16234 1/20 0.36
STAT5A P42229 1/20 0.36
ACVR1 Q04771 1/20 0.36
PKMYT1 Q99640 1/20 0.36

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
SCHEMBL3374699 0.85 MAPT (0.40) TGFBR1MAPK1ULK1CTSCSTK17A
SCHEMBL3449033 0.81 SYK (0.41) GABRA1ABL1EGFRFGFR1SRC
SCHEMBL3374661 0.81 SYK (0.45) ABL1EGFRSRCMEN1KMT2A
SCHEMBL3450762 0.81 STK17A (0.41) MAPK1ULK1CTSCSTK17ASTK17B
SCHEMBL3449320 0.80 MAPK1 (0.42) APPMAPK1ULK1CTSCEGFR
SCHEMBL3449322 0.80 MAPK1 (0.47) APPMAPK1ULK1CTSCSTK17A
SCHEMBL3376031 0.80 ULK1 (0.38) APPMAPK1ULK1EGFRSTK17A
SCHEMBL3373118 0.80 APP (0.36) APPMAPK1ULK1EGFRFGFR1
SCHEMBL3378656 0.79 PTK2 (0.37) APPULK1ABL1EGFRSTK17A
SCHEMBL3448901 0.79 EGFR (0.41) GABRA1APPULK1ABL1EGFR

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 5 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
WO-2010038081-A2 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB (SE) 2010-04-08 WO disclosed
WO-2010038081-A2 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB (SE) 2010-04-08 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-20100137313-A1 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF SDHA, SDHB, UROD CDK2 2258/4885GSK3B 2904/4885GABRA1 1879/4885

“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.