SCHEMBL244038

SCHEMBL244038

Cc1cc(C)n(-c2nc(Nc3ccc(F)c(F)c3)c3ncn(C)c3n2)n1

nearest known ligand 0.77

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNN3 Q9UGI6 4/20 0.77
KCNN2 Q9H2S1 1/20 0.77
BCL6 P41182 1/20 0.46
POLB P06746 2/20 0.46
TP53 P04637 1/20 0.42
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
ABL1 P00519 2/20 0.40
BCR P11274 2/20 0.40
BTK Q06187 2/20 0.40

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
SCHEMBL183069 0.89 KCNN3 (0.80) KCNN3KCNN2BCL6POLBTP53
SCHEMBL183176 0.87 KCNN3 (1.00) KCNN3KCNN2BCL6POLBTP53
SCHEMBL30421528 0.87 KCNN3 (1.00) KCNN3KCNN2BCL6POLBTP53
SCHEMBL183151 0.86 KCNN3 (0.82) KCNN3KCNN2BCL6POLBTP53
SCHEMBL183385 0.85 KCNN3 (0.80) KCNN3KCNN2BCL6POLBTP53
SCHEMBL182996 0.84 KCNN3 (0.80) KCNN3KCNN2BCL6POLBTP53
SCHEMBL2850075 0.84 KCNN3 (0.79) KCNN3KCNN2BCL6ABL1BCR
SCHEMBL183344 0.84 KCNN3 (0.76) KCNN3KCNN2BCL6POLBTP53
SCHEMBL183629 0.84 KCNN3 (0.78) KCNN3KCNN2BCL6POLBTP53
SCHEMBL183257 0.82 KCNN3 (0.76) KCNN3KCNN2BCL6POLBTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120004246-A1 PURINYL DERIVATIVES AND THEIR USE AS POTASSIUM CHANNEL MODULATORS NEUROSEARCH A/S (DK) 2012-01-05 US claimed
US-20120004246-A1 PURINYL DERIVATIVES AND THEIR USE AS POTASSIUM CHANNEL MODULATORS NEUROSEARCH A/S (DK) 2012-01-05 US disclosed
US-20120004246-A1 PURINYL DERIVATIVES AND THEIR USE AS POTASSIUM CHANNEL MODULATORS NEUROSEARCH A/S (DK) 2012-01-05 US disclosed
US-20120004246-A1 PURINYL DERIVATIVES AND THEIR USE AS POTASSIUM CHANNEL MODULATORS NEUROSEARCH A/S (DK) 2012-01-05 US disclosed
WO-2008116912-A2 PURINYL DERIVATIVES AND THEIR USE AS POTASSIUM CHANNEL MODULATORS NEUROSEARCH A/S (DK) 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-20120004246-A1 PURINYL DERIVATIVES AND THEIR USE AS POTASSIUM CHANNEL MODULATORS KCNJ2, KCNJ5, KCNJ3 KCNN3 15/4885KCNN2 5/4885BCL6 4271/4885

“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.