Sugi Predict

Sugi Predict / Compounds / SCHEMBL2429975

SCHEMBL2429975

SCHEMBL2429975

CCOC(=O)c1nc2c(s1)C(=O)CCC2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ SMN1; SMN2 Q16637 5/20 0.45
▸ LMNA P02545 1/20 0.45
▸ CYP1A2 P05177 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ MEN1 O00255 3/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ BRD4 O60885 1/20 0.41
▸ RAB9A P51151 2/20 0.40
▸ POLB P06746 2/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ KDM4E B2RXH2 3/20 0.40
▸ MAPT P10636 2/20 0.40
▸ PIK3CD O00329 1/20 0.39
▸ PIK3CA P42336 1/20 0.39
▸ PIK3CB P42338 1/20 0.39
▸ PIK3CG P48736 1/20 0.39

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
SCHEMBL14172835 0.97 ALDH1A1 (0.43) ALDH1A1MAPK1SMN1; SMN2LMNACYP1A2
SCHEMBL8005977 0.81 PARP1 (0.50) ALDH1A1MAPK1SMN1; SMN2LMNAMEN1
SCHEMBL14172833 0.79 ALDH1A1 (0.37) ALDH1A1MAPK1SMN1; SMN2LMNACYP1A2
SCHEMBL12797124 0.78 ALDH1A1 (0.55) ALDH1A1MAPK1SMN1; SMN2LMNACYP1A2
SCHEMBL1781609 0.78 ALDH1A1 (0.56) ALDH1A1MAPK1SMN1; SMN2LMNACYP1A2
SCHEMBL12922693 0.78 PARP1 (0.53) ALDH1A1MAPK1SMN1; SMN2LMNAMEN1
SCHEMBL18226589 0.77 MAPT (0.44) ALDH1A1MAPK1SMN1; SMN2LMNACYP1A2
SCHEMBL14172792 0.76 KDM4E (0.42) ALDH1A1MAPK1SMN1; SMN2CYP1A2CYP2C9
SCHEMBL12797250 0.76 KDM4E (0.40) ALDH1A1CYP1A2CYP2C9RAB9ANPC1
SCHEMBL1117994 0.75 ALDH1A1 (0.41) ALDH1A1MAPK1SMN1; SMN2LMNACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8288400-B2 Compositions useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-10-16 — — US disclosed
US-8288400-B2 Compositions useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-10-16 — — US disclosed
US-8288400-B2 Compositions useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-10-16 — — US disclosed
US-20120183577-A1 COMPOSITIONS USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-07-19 — — US disclosed
US-20120183577-A1 COMPOSITIONS USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-07-19 — — US disclosed
US-20120183577-A1 COMPOSITIONS USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-07-19 — — US disclosed
US-8017619-B2 Compositions useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-09-13 — — US disclosed
US-8017619-B2 Compositions useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-09-13 — — US disclosed
US-8017619-B2 Compositions useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-09-13 — — US disclosed
US-20100280026-A1 COMPOSITIONS USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-11-04 — — US disclosed
US-20100280026-A1 COMPOSITIONS USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-11-04 — — US disclosed
US-20100280026-A1 COMPOSITIONS USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-11-04 — — US disclosed
US-7700609-B2 Compositions useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-04-20 — — US disclosed
US-7700609-B2 Compositions useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-04-20 — — US disclosed
US-7700609-B2 Compositions useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-04-20 — — US disclosed
EP-1692140-B1 COMPOSITIONS USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMA (US) 2009-12-09 — — EP disclosed
EP-1692140-A1 COMPOSITIONS USEFUL AS INHIBITORS OF PROTEIN KINASES Vertex Pharmaceuticals Incorporated (US) 2006-08-23 — — EP disclosed
US-20050148603-A1 Compositions useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED 2005-07-07 — — US disclosed
WO-2005037843-A1 COMPOSITIONS USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2005-04-28 — — WO 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-20100280026-A1 COMPOSITIONS USEFUL AS INHIBITORS OF PROTEIN KINASES MAP3K20, MAP3K1, MAP3K6 ALDH1A1 4728/4885MAPK1 168/4885SMN1; SMN2 1796/4885
US-20050148603-A1 Compositions useful as inhibitors of protein kinases MAP3K20, MAP3K1, MAP3K6 ALDH1A1 4728/4885MAPK1 168/4885SMN1; SMN2 1796/4885
US-20120183577-A1 COMPOSITIONS USEFUL AS INHIBITORS OF PROTEIN KINASES MAP3K20, MAP3K1, MAP3K6 ALDH1A1 4728/4885MAPK1 168/4885SMN1; SMN2 1796/4885

“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.