SCHEMBL19203777

SCHEMBL19203777

COc1ccnc(C(C)C)c1C

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ACVR2A P27037 1/20 0.35
TGFBR2 P37173 1/20 0.35
ALDH1A1 P00352 2/20 0.34
FGFR2 P21802 1/20 0.34
GAA P10253 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
PDGFRB P09619 1/20 0.33
PDGFRA P16234 1/20 0.33
CCR1 P32246 1/20 0.32
CCR5 P51681 1/20 0.32
CCR8 P51685 1/20 0.32
PLAU P00749 1/20 0.32

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
SCHEMBL20928768 0.80 ACHE (0.36) ACHEL3MBTL1ACVR2ATGFBR2FGFR2
SCHEMBL31278345 0.80 CDK1 (0.36) ACHEL3MBTL1ACVR2ATGFBR2FGFR2
SCHEMBL23618526 0.79 KMT2A (0.40) ACHEL3MBTL1ALDH1A1GAA
SCHEMBL19629678 0.78 FGFR2 (0.36) ACHEL3MBTL1ACVR2ATGFBR2ALDH1A1
SCHEMBL19769065 0.78 IKBKB (0.39) ACHEL3MBTL1ACVR2ATGFBR2ALDH1A1
SCHEMBL25791763 0.78 HPGD (0.38) ACHEL3MBTL1ACVR2ATGFBR2FGFR2
SCHEMBL26549574 0.78 CYP1A2 (0.35) ACHEL3MBTL1ACVR2ATGFBR2ALDH1A1
SCHEMBL25791543 0.76 FGFR2 (0.35) ACHEL3MBTL1ACVR2ATGFBR2ALDH1A1
SCHEMBL19865907 0.75 NPC1 (0.42) L3MBTL1ALDH1A1GAA
SCHEMBL9963325 0.75 PLAU (0.46) ACHEPDGFRBPDGFRAPLAU

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-20200317705-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS ARIAD PHARMACEUTICALS, INC. 2020-10-08 US disclosed
US-20170218000-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS ARIAD PHARMACEUTICALS, INC. 2017-08-03 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-20170218000-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS MAP3K6, PIK3CA, MAP3K20 ACHE 4457/4885L3MBTL1 4011/4885ACVR2A 1069/4885
US-20200317705-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS MAP3K6, PIK3CA, MAP3K20 ACHE 4457/4885L3MBTL1 4011/4885ACVR2A 1069/4885

“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.