SCHEMBL16604729

SCHEMBL16604729

CNc1ncnc2snc(C(C)C)c12

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ GRM1 Q13255 3/20 0.33
▸ PDPK1 O15530 1/20 0.31
▸ GRM5 P41594 1/20 0.30
▸ KDR P35968 1/20 0.30
▸ PIK3CD O00329 1/20 0.30
▸ PIK3CB P42338 1/20 0.30
▸ PIK3CG P48736 1/20 0.30
▸ YTHDC1 Q96MU7 2/20 0.30
▸ YTHDF2 Q9Y5A9 1/20 0.30
▸ TNF P01375 1/20 0.30
▸ RAB9A P51151 1/20 0.30
▸ NOD1 Q9Y239 1/20 0.30

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
SCHEMBL27010975 0.80 KDR (0.34) KDR
SCHEMBL27010935 0.66 — —
SCHEMBL13165061 0.63 SMN1; SMN2 (0.64) ALDH1A1MEN1KMT2ARAB9A
SCHEMBL18237935 0.63 — —
SCHEMBL16386311 0.63 XDH (0.38) KDRPIK3CDPIK3CBPIK3CGYTHDC1
SCHEMBL24317320 0.62 GRM1 (0.32) GRM1
SCHEMBL24016749 0.62 PDPK1 (0.33) PDPK1YTHDC1YTHDF2
SCHEMBL18237936 0.60 — —
SCHEMBL10237224 0.58 MAPT (0.68) ALDH1A1KDM4EMEN1KMT2A
SCHEMBL19444676 0.58 MAPT (0.73) ALDH1A1KDM4EMEN1KMT2A

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-20170035766-A1 IRAK INHIBITORS AND USES THEREOF NIMBUS IRIS INC (US) 2017-02-09 — — US disclosed
US-9518065-B2 IRAK inhibitors and uses thereof NIMBUS IRIS, INC. (US) 2016-12-13 — — US disclosed
US-20150094305-A1 IRAK INHIBITORS AND USES THEREOF NIMBUS IRIS, INC. 2015-04-02 — — 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-20170035766-A1 IRAK INHIBITORS AND USES THEREOF IRAK2, IRAK3, IRAK1 ALDH1A1 4076/4885KDM4E 522/4885MEN1 3741/4885
US-20150094305-A1 IRAK INHIBITORS AND USES THEREOF IRAK2, IRAK3, IRAK1 ALDH1A1 4076/4885KDM4E 522/4885MEN1 3741/4885

“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.

Send feedback