SCHEMBL4899226

SCHEMBL4899226

FC(F)(F)Oc1ccc(Nc2[nH]c(Cl)nc3ncnc2-3)cc1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TTBK1 Q5TCY1 1/20 0.44
TTBK2 Q6IQ55 1/20 0.44
ABL1 P00519 10/20 0.44
BCR P11274 10/20 0.44
CHRNA7 P36544 5/20 0.43
CTSC P53634 1/20 0.42
ALOX5 P09917 1/20 0.40
KCNH2 Q12809 1/20 0.39
SCN5A Q14524 1/20 0.39
SCN9A Q15858 1/20 0.39
EIF2AK2 P19525 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
SCHEMBL4902038 0.84 MEN1 (0.46) TTBK1TTBK2
SCHEMBL7147132 0.76 SYK (0.43) TTBK1TTBK2ABL1BCRKCNH2
Hydrochloric Acid SCHEMBL4893879 0.75 SYK (0.42) TTBK1TTBK2ABL1BCRKCNH2
SCHEMBL30568377 0.70 SCN9A (0.61) TTBK1TTBK2ABL1BCRCHRNA7
SCHEMBL925183 0.67 ABL1 (0.62) ABL1BCR
SCHEMBL1923201 0.66 MAPT (0.61) TTBK1TTBK2ABL1BCRCHRNA7
SCHEMBL3194551 0.66 MAPT (0.61) TTBK1TTBK2ABL1BCRCHRNA7
SCHEMBL8909947 0.66 CHRNA7 (0.72) CHRNA7CTSC
SCHEMBL3996168 0.66 CHRNA7 (0.50) CHRNA7CTSCALOX5KCNH2SCN5A
SCHEMBL3402796 0.65 ABL1 (0.56) TTBK1TTBK2ABL1BCRCTSC

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080090849-A1 NOVEL PURINE DERIVATIVES, PREPARATION METHOD AND USE AS MEDICINES AVENTIS PHARMA S.A. (FR) 2008-04-17 US disclosed
US-7041824-B2 Purine derivatives, preparation method and use as medicines AVENTIS PHARMA S.A. (FR) 2006-05-09 US disclosed
US-20060074095-A1 Novel purine derivatives, preparation method and use as medicines AVENTIS PHARMA S.A. (FR) 2006-04-06 US disclosed
US-20040063732-A1 Novel purine derivatives, preparation method and use as medicines AVENTIS PHARMA S.A. (FR) 2004-04-01 US disclosed
EP-1347975-A1 NOVEL PURINE DERIVATIVES, PREPARATION METHOD AND USE AS MEDICINES Aventis Pharma S.A. (FR) 2003-10-01 EP disclosed
WO-2002051843-A1 NOVEL PURINE DERIVATIVES, PREPARATION METHOD AND USE AS MEDICINES AVENTIS PHARMA S.A. (FR) 2002-07-04 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 (3 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-20040063732-A1 Novel purine derivatives, preparation method and use as medicines CDK1, CDK6, PNP TTBK1 540/4885TTBK2 890/4885ABL1 735/4885
US-20080090849-A1 NOVEL PURINE DERIVATIVES, PREPARATION METHOD AND USE AS MEDICINES CDK1, CDK6, PNP TTBK1 524/4885TTBK2 761/4885ABL1 574/4885
US-20060074095-A1 Novel purine derivatives, preparation method and use as medicines CDK1, CDK6, PNP TTBK1 549/4885TTBK2 815/4885ABL1 642/4885

“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.