SCHEMBL3449502

SCHEMBL3449502

Cc1cc(C(F)(F)F)nn1-c1nc(Nc2ccc(F)c(Cl)c2)ncc1-c1cnc(OCCn2ccnc2)c(C(=O)O)c1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EGFR P00533 5/20 0.39
SYK P43405 11/20 0.36
ABL1 P00519 1/20 0.36
BCR P11274 1/20 0.36
SRC P12931 1/20 0.36
PRKCA P17252 1/20 0.36
PRKCD Q05655 1/20 0.36
ITK Q08881 1/20 0.35
SIGMAR1 Q99720 1/20 0.35

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
SCHEMBL3378731 0.94 EGFR (0.40) EGFRABL1BCRSRCPRKCA
SCHEMBL3451900 0.90 SYK (0.39) EGFRSYK
SCHEMBL3449232 0.89 EGFR (0.39) EGFRSYKABL1BCRSRC
SCHEMBL3374414 0.89 SYK (0.42) EGFRSYKITK
SCHEMBL13312428 0.88 SYK (0.40) SYK
SCHEMBL13312605 0.88 SYK (0.47) EGFRSYK
SCHEMBL3448651 0.87 SYK (0.48) EGFRSYKSIGMAR1
SCHEMBL3449007 0.86 EGFR (0.41) EGFRSYKABL1SRC
SCHEMBL13312587 0.86 SYK (0.35) EGFRSYKITK
SCHEMBL13312597 0.84 SYK (0.38) EGFRSYKITK

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 EGFR 2771/4885SYK 804/4885ABL1 370/4885

“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.