SCHEMBL3450331

SCHEMBL3450331

CNC(=O)c1cncc(-c2cnc(Nc3cc(OC)cc(OC)c3)nc2-n2ccc(C(F)(F)F)n2)c1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTK2 Q05397 8/20 0.45
JAK2 O60674 1/20 0.40
NTRK1 P04629 1/20 0.40
TYK2 P29597 1/20 0.40
KDR P35968 1/20 0.40
JAK3 P52333 1/20 0.40
PTK2B Q14289 1/20 0.40
NTRK3 Q16288 1/20 0.40
NTRK2 Q16620 1/20 0.40
HDAC3 O15379 2/20 0.40
HDAC1 Q13547 2/20 0.40
HDAC2 Q92769 2/20 0.40
HDAC6 Q9UBN7 2/20 0.40
PDGFRB P09619 1/20 0.39
TYRO3 Q06418 1/20 0.38
MERTK Q12866 1/20 0.38
MAPK3 P27361 1/20 0.38
EGFR P00533 1/20 0.38
BTK Q06187 1/20 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
SCHEMBL3451247 0.93 HDAC3 (0.40) PTK2HDAC3HDAC1HDAC2HDAC6
SCHEMBL3376553 0.92 PDGFRB (0.40) PTK2NTRK2HDAC3HDAC1HDAC2
SCHEMBL3448186 0.91 SYK (0.42) PTK2HDAC3HDAC1HDAC2HDAC6
SCHEMBL3447905 0.90 PTK2 (0.39) PTK2HDAC3HDAC1HDAC2HDAC6
SCHEMBL3449079 0.88 SYK (0.43) JAK2TYK2JAK3HDAC3HDAC1
SCHEMBL3449178 0.88 SYK (0.43) HDAC3HDAC1HDAC2HDAC6PDGFRB
SCHEMBL3451952 0.88 AXL (0.38) PTK2HDAC3HDAC1HDAC2HDAC6
SCHEMBL3450083 0.88 SYK (0.42)
SCHEMBL13312523 0.88 SYK (0.41) PTK2HDAC3HDAC1HDAC2HDAC6
SCHEMBL3451240 0.87 PTK2 (0.41) PTK2JAK2NTRK1TYK2KDR

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 4 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

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 1093/4885NTRK1 4774/4885

“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.