SCHEMBL19203840

SCHEMBL19203840

CC(C)(C)c1ccc(F)c(C(=O)Nc2ccccc2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNK9 Q9NPC2 1/20 0.55
▸ MEN1 O00255 3/20 0.54
▸ KMT2A Q03164 3/20 0.54
▸ RAB9A P51151 3/20 0.54
▸ NPC1 O15118 2/20 0.54
▸ SMN1; SMN2 Q16637 3/20 0.54
▸ TDP1 Q9NUW8 1/20 0.53
▸ NR1H4 Q96RI1 2/20 0.52
▸ PPARG P37231 1/20 0.52
▸ TP53 P04637 1/20 0.51
▸ THRB P10828 1/20 0.51
▸ PLG P00747 2/20 0.50
▸ KLK1 P06870 2/20 0.50
▸ KLK6 Q92876 2/20 0.50
▸ KLKB1 P03952 1/20 0.50
▸ P2RX1 P51575 1/20 0.50
▸ GAA P10253 1/20 0.49
▸ MAPT P10636 1/20 0.49
▸ NPSR1 Q6W5P4 1/20 0.49
▸ HDAC3 O15379 1/20 0.49

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
SCHEMBL26075653 0.86 P2RX1 (0.62) KCNK9MEN1KMT2ARAB9ANPC1
SCHEMBL26075815 0.85 P2RX1 (0.59) SMN1; SMN2P2RX1MAPTHDAC3HDAC8
SCHEMBL15219450 0.80 MEN1 (0.58) MEN1KMT2ARAB9ANPC1SMN1; SMN2
SCHEMBL14803473 0.80 GAA (0.53) MEN1KMT2ARAB9ANPC1SMN1; SMN2
SCHEMBL1687870 0.78 MEN1 (0.69) KCNK9MEN1KMT2ARAB9ANPC1
SCHEMBL17695157 0.77 TDP1 (0.44) MEN1KMT2ARAB9ANPC1SMN1; SMN2
SCHEMBL12203036 0.77 TDP1 (0.56) TDP1NR1H4PPARGHPGD
SCHEMBL30868543 0.77 P2RX1 (0.61) MEN1KMT2ARAB9ANPC1SMN1; SMN2
SCHEMBL5786347 0.77 KAT6A (0.58) MEN1KMT2ARAB9ANPC1SMN1; SMN2
SCHEMBL6812861 0.77 MEN1 (0.58) MEN1KMT2ARAB9ANPC1SMN1; SMN2

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-20200317705-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS ARIAD PHARMACEUTICALS, INC. 2020-10-08 — — US disclosed
US-20200048288-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2020-02-13 — — 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 (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-20170218000-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS MAP3K6, PIK3CA, MAP3K20 KCNK9 1096/4885MEN1 826/4885KMT2A 1452/4885
US-20200317705-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS MAP3K6, PIK3CA, MAP3K20 KCNK9 1096/4885MEN1 826/4885KMT2A 1452/4885
US-20200048288-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS MAP3K6, PIK3CA, MAP3K20 KCNK9 1096/4885MEN1 826/4885KMT2A 1452/4885

“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.

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