SCHEMBL19916752

SCHEMBL19916752

CCCCC(C)(CC)c1c(N)nn2cccnc12

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 16/20 0.41
JAK3 P52333 16/20 0.41
SMPD3 Q9NY59 1/20 0.34
PIK3CG P48736 2/20 0.33
TLR7 Q9NYK1 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
SCHEMBL19916808 0.92 JAK2 (0.42) JAK2JAK3SMPD3PIK3CG
SCHEMBL19413053 0.87 JAK2 (0.42) JAK2JAK3SMPD3PIK3CGTLR7
SCHEMBL19413023 0.81 JAK2 (0.43) JAK2JAK3SMPD3PIK3CG
SCHEMBL3711979 0.77 SMPD3 (0.43) JAK2JAK3SMPD3PIK3CG
SCHEMBL24408132 0.72 RAB9A (0.37)
SCHEMBL21555751 0.70 JAK2 (0.41) JAK2JAK3SMPD3PIK3CGTLR7
SCHEMBL24880503 0.70 JAK2 (0.41) JAK2JAK3SMPD3PIK3CGTLR7
SCHEMBL19916796 0.69 SMPD3 (0.45) SMPD3
SCHEMBL16646749 0.68 JAK2 (0.46) JAK2JAK3SMPD3PIK3CG
SCHEMBL21555749 0.68 JAK2 (0.40) JAK2JAK3SMPD3PIK3CGTLR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10675286-B2 Heterocyclic compounds and uses thereof INFINITY PHARMACEUTICALS, INC. (US) 2020-06-09 US disclosed
US-20180055852-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF TWELVE THERAPEUTICS, INC. 2018-03-01 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 (2 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-10675286-B2 Heterocyclic compounds and uses thereof PIK3CA, PIK3CD, PIK3CB JAK2 51/4885JAK3 171/4885SMPD3 588/4885
US-20180055852-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB JAK2 51/4885JAK3 171/4885SMPD3 588/4885

“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.