SCHEMBL3450574

SCHEMBL3450574

COC1CCN(c2nc(Nc3ccc(F)c(Cl)c3)ncc2-c2cncc(C(=O)O)c2)CC1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F11 P03951 1/20 0.44
KLKB1 P03952 1/20 0.44
EGFR P00533 2/20 0.42
SLC9A1 P19634 2/20 0.42
PAK1 Q13153 1/20 0.41
CSNK2A1 P68400 4/20 0.41
SCD O00767 3/20 0.40
MALT1 Q9UDY8 2/20 0.40
ABL1 P00519 1/20 0.39
BCR P11274 1/20 0.39
XDH P47989 1/20 0.39
SLC22A12 Q96S37 1/20 0.39
FGFR1 P11362 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
SCHEMBL3448886 0.91 KIT (0.43) EGFRSLC9A1CSNK2A1MALT1ABL1
SCHEMBL3449527 0.91 CSNK2A1 (0.43) EGFRSLC9A1CSNK2A1SCDMALT1
SCHEMBL3458418 0.90 P2RY12 (0.45) F11KLKB1EGFRSLC9A1PAK1
SCHEMBL3447674 0.88 JAK3 (0.43) EGFRPAK1CSNK2A1ABL1BCR
SCHEMBL3449234 0.88 XDH (0.43) EGFRPAK1CSNK2A1ABL1BCR
SCHEMBL3450271 0.88 CSNK2A1 (0.42) EGFRSLC9A1CSNK2A1MALT1XDH
SCHEMBL3455060 0.88 MALT1 (0.47) EGFRSLC9A1CSNK2A1MALT1
SCHEMBL3449427 0.88 AXL (0.50) EGFRPAK1CSNK2A1XDHSLC22A12
SCHEMBL3449464 0.88 SLC9A1 (0.44) EGFRSLC9A1
SCHEMBL3447741 0.88 JAK3 (0.44) EGFRPAK1CSNK2A1ABL1BCR

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 3 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

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 F11 1988/4885KLKB1 3726/4885EGFR 2771/4885

“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.