SCHEMBL933852

SCHEMBL933852

CC(Cc1cccnc1)C(N)=O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 3/20 0.60
LMNA P02545 1/20 0.56
RECQL P46063 1/20 0.53
FDPS P14324 1/20 0.53
NAPRT Q6XQN6 1/20 0.50
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C9 P11712 1/20 0.49
KDM4E B2RXH2 1/20 0.47
PKM P14618 1/20 0.47
KMT2A Q03164 1/20 0.47
CHRM1 P11229 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
F7 P08709 1/20 0.44
F3 P13726 1/20 0.44
SARM1 Q6SZW1 1/20 0.44
SIRT2 Q8IXJ6 1/20 0.44
SIRT6 Q8N6T7 1/20 0.44
SIRT1 Q96EB6 1/20 0.44
SIRT3 Q9NTG7 1/20 0.44

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
SCHEMBL23732837 0.85 TBXAS1 (0.61) TBXAS1LMNARECQLFDPSNAPRT
SCHEMBL266473 0.85 TBXAS1 (0.80) TBXAS1LMNAFDPSNAPRTCYP3A4
SCHEMBL14732861 0.85 TBXAS1 (0.80) TBXAS1LMNAFDPSNAPRTCYP3A4
SCHEMBL14732863 0.85 TBXAS1 (0.61) TBXAS1LMNARECQLFDPSNAPRT
SCHEMBL15947894 0.85 TBXAS1 (0.80) TBXAS1LMNAFDPSNAPRTCYP3A4
SCHEMBL934603 0.84 PSMB5 (0.53) TBXAS1
SCHEMBL933922 0.83 MKNK1 (0.55) TBXAS1LMNA
Hydrochloric Acid SCHEMBL27527974 0.81 TBXAS1 (0.57) TBXAS1LMNARECQLFDPSNAPRT
Hydrochloric Acid SCHEMBL27580147 0.81 TBXAS1 (0.57) TBXAS1LMNARECQLFDPSNAPRT
SCHEMBL1799124 0.81 RECQL (0.54) TBXAS1RECQLFDPSNAPRTCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1780821-A Heterocyclic kinase inhibitors. ABBOTT LAB (US) 2006-05-31 CN claimed
CN-105745198-B Carboxymethyl piperidine derivative 橘生药品工业株式会社 2018-09-21 CN disclosed
US-20150272947-A1 INHIBITORS OF PROTEIN KINASES ASTRAZENECA AB (SE) 2015-10-01 US disclosed
US-9067888-B2 Inhibitors of protein kinases ASTRAZENECA AB (SE) 2015-06-30 US disclosed
CN-102834380-B Inhibitors of protein kinases ASTRAZENECA 2015-04-01 CN disclosed
US-20130345233-A1 INHIBITORS OF PROTEIN KINASES INGENIUM PHARMACEUTICALS GMBH (DE) 2013-12-26 US disclosed
US-8518948-B2 Inhibitors of protein kinases INGENIUM PHARMACEUTICALS GMBH (DE) 2013-08-27 US disclosed
EP-2545037-A1 INHIBITORS OF PROTEIN KINASES Ingenium Pharmaceuticals GmbH (DE) 2013-01-16 EP disclosed
CN-102834380-A Inhibitors of protein kinases INGENIUM PHARMACEUTICALS GMBH 2012-12-19 CN disclosed
EP-2454243-A2 TETRAZOLE DERIVATIVES Merck Serono SA (CH) 2012-05-23 EP disclosed
US-20110224225-A1 Inhibitors of protein kinases ASTRAZENECA AB (SE) 2011-09-15 US disclosed
WO-2011110612-A1 INHIBITORS OF PROTEIN KINASES INGENIUM PHARMACEUTICALS GMBH (DE) 2011-09-15 WO disclosed
WO-2011006935-A2 TETRAZOLE DERIVATIVES MERCK SERONO S.A. (CH) 2011-01-20 WO disclosed
CN-1780821-A Heterocyclic kinase inhibitors. ABBOTT LAB (US) 2006-05-31 CN 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-20130345233-A1 INHIBITORS OF PROTEIN KINASES CDK1, CDK2, CDK3 TBXAS1 793/4885LMNA 1506/4885RECQL 484/4885
US-20150272947-A1 INHIBITORS OF PROTEIN KINASES CDK1, CDK2, CDK3 TBXAS1 793/4885LMNA 1506/4885RECQL 484/4885
US-20110224225-A1 Inhibitors of protein kinases CDK1, CDK2, CDK3 TBXAS1 793/4885LMNA 1506/4885RECQL 484/4885

“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.