SCHEMBL10328343

SCHEMBL10328343

COC1CCN(C(=O)[C@@H](C)O)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.43
ALDH1A1 P00352 2/20 0.43
DPP4 P27487 1/20 0.43
DPP7 Q9UHL4 1/20 0.43
MEN1 O00255 1/20 0.43
HRH3 Q9Y5N1 3/20 0.39
HPGD P15428 2/20 0.39
ROCK2 O75116 1/20 0.39
CYP3A4 P08684 1/20 0.39
PDE9A O76083 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
PRMT5 O14744 1/20 0.37
KCNQ3 O43525 2/20 0.35
KCNQ2 O43526 2/20 0.35
POLB P06746 1/20 0.35
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
TP53 P04637 1/20 0.34

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
SCHEMBL12521996 1.00 KMT2A (0.43) KMT2AALDH1A1DPP4DPP7MEN1
SCHEMBL17665147 0.93 DPP4 (0.49) KMT2AALDH1A1DPP4DPP7MEN1
SCHEMBL17308204 0.89 PDE9A (0.40) KMT2AALDH1A1DPP4DPP7MEN1
SCHEMBL17308198 0.89 PDE9A (0.40) KMT2AALDH1A1DPP4DPP7MEN1
SCHEMBL16132288 0.89 PDE9A (0.40) KMT2AALDH1A1DPP4DPP7MEN1
SCHEMBL12521649 0.89 PDE9A (0.40) KMT2AALDH1A1DPP4DPP7MEN1
SCHEMBL17308197 0.89 PDE9A (0.40) KMT2AALDH1A1DPP4DPP7MEN1
SCHEMBL12521657 0.89 PDE9A (0.40) KMT2AALDH1A1DPP4DPP7MEN1
SCHEMBL738191 0.86 KMT2A (0.44) KMT2AALDH1A1DPP4DPP7MEN1
SCHEMBL12448265 0.83 ALDH1A1 (0.42) KMT2AALDH1A1DPP4DPP7MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3152210-B1 TANK-BINDING KINASE INHIBITOR COMPOUNDS GILEAD SCIENCES INC (US) 2023-07-05 EP disclosed
EP-3517536-B1 AMINOTRIAZINE DERIVATIVES USEFUL AS TANK-BINDING KINASE INHIBITOR COMPOUNDS GILEAD SCIENCES INC (US) 2021-05-05 EP disclosed
EP-3517536-A1 AMINOTRIAZINE DERIVATIVES USEFUL AS TANK-BINDING KINASE INHIBITOR COMPOUNDS Gilead Sciences, Inc. (US) 2019-07-31 EP disclosed
US-20160096827-A1 TANK-BINDING KINASE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2016-04-07 US disclosed
WO-2016049211-A1 AMINOTRIAZINE DERIVATIVES USEFUL AS TANK-BINDING KINASE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2016-03-31 WO disclosed
US-20150352108-A1 AMINO-PYRIMIDINE COMPOUNDS AS INHIBITORS OF TBK1 AND/OR IKK EPSILON ALZHEIMER'S INSTITUTE OF AMERICA (US) 2015-12-10 US disclosed
US-20150344473-A1 TANK-BINDING KINASE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2015-12-03 US disclosed
US-20140288044-A1 COMPOSITIONS AND THERAPEUTIC USES OF IKK-RELATED KINASE EPSILON AND TANKBINDING KINASE 1 INHIBITORS ALZHEIMER'S INSTITUTE OF AMERICA, INC. (US) 2014-09-25 US disclosed
EP-2448942-B1 FUSED TRICYCLIC COMPOUNDS AS mTOR INHIBITORS MERCK SHARP & DOHME (US) 2014-09-24 EP disclosed
US-20120238540-A1 AMINO-PYRIMIDINE COMPOUNDS AS INHIBITORS OF IKK EPSILON AND/OR TBK1 MYREXIS, INC. (US) 2012-09-20 US disclosed
US-20120178744-A1 FUSED TRICYCLIC COMPOUNDS AS NOVEL mTOR INHIBITORS MERCK SHARP & DOHME LLC 2012-07-12 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 (6 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-20120178744-A1 FUSED TRICYCLIC COMPOUNDS AS NOVEL mTOR INHIBITORS MTOR, RICTOR, RPTOR KMT2A 1587/4885ALDH1A1 4261/4885DPP4 3575/4885
US-20150344473-A1 TANK-BINDING KINASE INHIBITOR COMPOUNDS TBKBP1, TNKS1BP1, TNKS KMT2A 1865/4885ALDH1A1 4260/4885DPP4 3256/4885
US-20140288044-A1 COMPOSITIONS AND THERAPEUTIC USES OF IKK-RELATED KINASE EPSILON AND TANKBINDING KINASE 1 INHIBITORS CSNK1G1, PRKCE, PHKG1 KMT2A 3442/4885ALDH1A1 4487/4885DPP4 2967/4885
US-20150352108-A1 AMINO-PYRIMIDINE COMPOUNDS AS INHIBITORS OF TBK1 AND/OR IKK EPSILON TBK1, NFKBIA, CHUK KMT2A 3692/4885ALDH1A1 4754/4885DPP4 3131/4885
US-20160096827-A1 TANK-BINDING KINASE INHIBITOR COMPOUNDS TBKBP1, TNKS1BP1, TNKS KMT2A 1865/4885ALDH1A1 4260/4885DPP4 3256/4885
US-20120238540-A1 AMINO-PYRIMIDINE COMPOUNDS AS INHIBITORS OF IKK EPSILON AND/OR TBK1 TBK1, NFKBIA, IKBKB KMT2A 1946/4885ALDH1A1 4626/4885DPP4 1850/4885

“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.