SCHEMBL3448441

SCHEMBL3448441

Cc1cc(C(F)(F)F)nn1-c1nc(Nc2ccc(F)c(Cl)c2)ncc1-c1cncc(C(=O)N2CCOCC2)c1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 12/20 0.43
JAK2 O60674 1/20 0.43
SYK P43405 1/20 0.43
NTRK1 P04629 2/20 0.41
MAPK10 P53779 1/20 0.40
RAF1 P04049 1/20 0.39
BRAF P15056 1/20 0.39
PTK2 Q05397 1/20 0.38
TDO2 P48775 1/20 0.38
ABL1 P00519 1/20 0.38
BCR P11274 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
SCHEMBL3448975 0.88 CSNK2A1 (0.39) SYK
SCHEMBL3449838 0.88 RAF1 (0.44) SYKMAPK10RAF1TDO2
SCHEMBL3449000 0.87 SYK (0.39) JAK2SYK
SCHEMBL13312721 0.86 NPC1 (0.40) LRRK2
SCHEMBL3448702 0.84 SYK (0.44) SYKABL1BCR
SCHEMBL3450030 0.84 ABL1 (0.38) SYKPTK2ABL1BCR
SCHEMBL3450175 0.84 ABL1 (0.36) SYKPTK2ABL1BCR
SCHEMBL3451467 0.83 JAK1 (0.39) JAK2BRAFABL1BCR
SCHEMBL3448149 0.82 BRAF (0.43) RAF1BRAFABL1BCR
SCHEMBL3449228 0.82 SYK (0.36) SYKPTK2ABL1BCR

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 LRRK2 4031/4885JAK2 1093/4885SYK 804/4885

“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.