SCHEMBL11919142

SCHEMBL11919142

CCc1nc(C(=O)NC2CCCN2)co1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.34
BACE1 P56817 3/20 0.34
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
ALDH1A1 P00352 1/20 0.33
SMYD3 Q9H7B4 3/20 0.32
TLR9 Q9NR96 2/20 0.32
TLR8 Q9NR97 2/20 0.32
TLR7 Q9NYK1 2/20 0.32
HDAC6 Q9UBN7 1/20 0.32
PRCP P42785 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
SCHEMBL15219299 0.83 TLR9 (0.35) BACE1NPC1RAB9ASMN1; SMN2SMYD3
SCHEMBL11915957 0.80 IRAK4 (0.35) NPC1RAB9ASMN1; SMN2SMYD3TLR9
SCHEMBL23505914 0.80 SMYD3 (0.48) NPC1RAB9ASMN1; SMN2ALDH1A1SMYD3
SCHEMBL19710589 0.74 SMYD3 (0.58) SMYD3TLR9TLR8TLR7
SCHEMBL21490072 0.74 SMYD3 (0.58) SMYD3TLR9TLR8TLR7
SCHEMBL25153630 0.72 HDAC6 (0.40) RIPK1BACE1HDAC6
SCHEMBL31434835 0.67 GRM5 (0.43) NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL1760523 0.66 HCAR2 (0.39) BACE1HDAC6
SCHEMBL19871354 0.66 FPR2 (0.40) BACE1ALDH1A1HDAC6
SCHEMBL6645728 0.66 P2RX7 (0.49)

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-20200048288-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2020-02-13 US disclosed
US-20120202776-A1 PHOSPHORUS DERIVATIVES AS KINASE INHIBITORS ARIAD PHARMACEUTICALS, INC. (US) 2012-08-09 US disclosed
US-20110288078-A1 PYRAZINOPYRAZINES AND DERIVATIVES AS KINASE INHIBITORS ARIAD PHARMACEUTICALS, INC. (US) 2011-11-24 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 (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-20120202776-A1 PHOSPHORUS DERIVATIVES AS KINASE INHIBITORS PHKA1, PIK3CA, PHKA2 RIPK1 732/4885BACE1 2342/4885NPC1 3518/4885
US-20200048288-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS MAP3K6, PIK3CA, MAP3K20 RIPK1 504/4885BACE1 2994/4885NPC1 3672/4885
US-20110288078-A1 PYRAZINOPYRAZINES AND DERIVATIVES AS KINASE INHIBITORS MAP3K5, MAP3K15, MAP4K2 RIPK1 592/4885BACE1 3457/4885NPC1 4413/4885

“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.