SCHEMBL3028131

SCHEMBL3028131

CC1(C)OB(c2cccc(CN3CCNC(=O)C3)c2)OC1(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 2/20 0.45
LPL P06858 1/20 0.45
PARP1 P09874 1/20 0.42
GRM5 P41594 1/20 0.41
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
PDCD1 Q15116 1/20 0.36
CD274 Q9NZQ7 1/20 0.36
GRM2 Q14416 1/20 0.36
ATM Q13315 1/20 0.35
PRMT5 O14744 1/20 0.35
WDR77 Q9BQA1 1/20 0.35
ROCK1 Q13464 1/20 0.35
JAK2 O60674 1/20 0.35

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
SCHEMBL3262851 0.86 LPL (0.43) LIPGLPLPARP1GRM5KMT2A
SCHEMBL5316635 0.86 LPL (0.51) LIPGLPLKMT2AMEN1CYP2C9
SCHEMBL13221009 0.83 POLB (0.58) LIPGLPLKMT2AMEN1POLB
SCHEMBL31464298 0.81 GRM2 (0.41) PARP1GRM5KMT2APOLBKDM4E
SCHEMBL29640063 0.79 LPL (0.55) LIPGLPLCYP2C9CYP2C19KDM4E
SCHEMBL1356694 0.79 LPL (0.55) LIPGLPLCYP2C9CYP2C19KDM4E
SCHEMBL2800860 0.78 ROCK1 (0.40) PARP1GRM5KMT2AKDM4EALDH1A1
SCHEMBL1641031 0.78 SMN1; SMN2 (0.54) LIPGLPLPOLBCYP2C9CYP2C19
SCHEMBL3038501 0.78 SMN1; SMN2 (0.56) PARP1GRM5KMT2AMEN1POLB
SCHEMBL585841 0.77 NCF1 (0.54) LIPGLPLKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8288536-B2 Kinase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-10-16 US disclosed
US-8288536-B2 Kinase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-10-16 US disclosed
US-8288536-B2 Kinase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-10-16 US disclosed
US-20100216765-A1 KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-26 US disclosed
US-20100216765-A1 KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-26 US disclosed
US-20100216765-A1 KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-26 US disclosed
US-7713973-B2 Kinase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-05-11 US disclosed
US-7713973-B2 Kinase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-05-11 US disclosed
US-7713973-B2 Kinase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-05-11 US disclosed
EP-1812439-A2 KINASE INHIBITORS Takeda San Diego, Inc. (US) 2007-08-01 EP disclosed
WO-2006044687-A2 KINASE INHIBITORS TAKEDA SAN DIEGO, INC. (US) 2006-04-27 WO disclosed
US-20060084650-A1 Kinase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-04-20 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-20060084650-A1 Kinase inhibitors MAP3K20, MAP3K19, MAP3K1 LIPG 837/4885LPL 1857/4885PARP1 766/4885
US-20100216765-A1 KINASE INHIBITORS MAP3K20, MAP3K19, MAP3K1 LIPG 837/4885LPL 1857/4885PARP1 766/4885

“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.