SCHEMBL4553561

SCHEMBL4553561

C=CCC(O)c1cc2cccc(C)c2nc1-c1ccccc1Cl.C=CCC(Oc1ncnc2[nH]ccc12)c1cc2cccc(C)c2nc1-c1ccccc1Cl

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 13/20 0.42
TRPA1 O75762 2/20 0.31
KDR P35968 1/20 0.31
TTBK1 Q5TCY1 1/20 0.31
TTBK2 Q6IQ55 1/20 0.31
DYRK1B Q9Y463 1/20 0.31

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
SCHEMBL4174856 0.96 PIK3CD (0.45) PIK3CDTRPA1KDRTTBK1TTBK2
SCHEMBL4181122 0.81 PIK3CD (0.54) PIK3CD
SCHEMBL4563890 0.73 PIK3CD (0.49) PIK3CDTRPA1
SCHEMBL21705927 0.70 PIK3CD (0.58) PIK3CD
SCHEMBL4178472 0.68 PIK3CD (0.49) PIK3CDTRPA1KDRDYRK1B
SCHEMBL12005060 0.68 JAK2 (0.43) PIK3CDTRPA1KDRTTBK1TTBK2
SCHEMBL10250927 0.66 PIK3CD (0.65) PIK3CD
SCHEMBL17971305 0.66 DRD4 (0.41) PIK3CDKDR
SCHEMBL4176627 0.66 PIK3CD (0.68) PIK3CD
SCHEMBL4184462 0.65 PIK3CD (0.47) PIK3CDTRPA1KDRDYRK1B

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-20200048265-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2020-02-13 US disclosed
EP-2137186-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES Amgen Inc. (US) 2009-12-30 EP disclosed
WO-2008118468-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2008-10-02 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-20200048265-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES MCL1, BCL9, MALT1 PIK3CD 16/4885TRPA1 2403/4885KDR 1583/4885

“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.