SCHEMBL134564

SCHEMBL134564

Cc1ccnc(C(C)(C)C(=O)O)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
UHRF1 Q96T88 1/20 0.42
CCR1 P32246 1/20 0.42
CCR5 P51681 1/20 0.42
CCR8 P51685 1/20 0.42
KDM4E B2RXH2 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
NOS3 P29474 1/20 0.39
NOS1 P29475 1/20 0.39
NOS2 P35228 1/20 0.39
CYP2C9 P11712 1/20 0.38
ALDH1A1 P00352 2/20 0.38
SORT1 Q99523 2/20 0.37
PLAU P00749 1/20 0.37
POLB P06746 1/20 0.37
KMO O15229 1/20 0.36

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
SCHEMBL23228443 0.84 PLAU (0.43) LMNASMN1; SMN2NPC1RAB9AUHRF1
SCHEMBL31541865 0.82 KDM4E (0.41) LMNASMN1; SMN2NPC1RAB9AUHRF1
SCHEMBL28758402 0.82 KDM4E (0.41) LMNASMN1; SMN2NPC1RAB9AUHRF1
SCHEMBL21241778 0.81 LMNA (0.42) LMNASMN1; SMN2NPC1RAB9AUHRF1
SCHEMBL20890612 0.81 NPC1 (0.42) LMNASMN1; SMN2NPC1RAB9AUHRF1
SCHEMBL134563 0.80 LMNA (0.38) LMNASMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL12988886 0.80 LMNA (0.38) LMNASMN1; SMN2NPC1RAB9AKDM4E
Hydrochloric Acid SCHEMBL31292377 0.79 PRKCI (0.38) LMNASMN1; SMN2NPC1RAB9AMEN1
SCHEMBL18855007 0.78 CNR2 (0.43) LMNASMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL129055 0.76 UHRF1 (0.48) LMNASMN1; SMN2NPC1RAB9AUHRF1

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
EP-2681192-B1 SYNTHESIS OF 2-CARBOXAMIDE CYCLOAMINO UREA DERIVATIVES NOVARTIS AG (CH) 2017-12-27 EP disclosed
US-20170355677-A1 SYNTHESIS OF 2-CARBOXAMIDE CYCLOAMINO UREA DERIVATIVES NOVARTIS AG (CH) 2017-12-14 US disclosed
US-20170355677-A1 SYNTHESIS OF 2-CARBOXAMIDE CYCLOAMINO UREA DERIVATIVES NOVARTIS AG (CH) 2017-12-14 US disclosed
US-9776966-B2 Synthesis of 2-carboxamide cycloamino urea derivatives NOVARTIS AG (CH) 2017-10-03 US disclosed
US-9776966-B2 Synthesis of 2-carboxamide cycloamino urea derivatives NOVARTIS AG (CH) 2017-10-03 US disclosed
US-20170240509-A1 Synthesis of 2-carboxamide cycloamino urea derivatives NOVARTIS AG (CH) 2017-08-24 US disclosed
US-20170240509-A1 Synthesis of 2-carboxamide cycloamino urea derivatives NOVARTIS AG (CH) 2017-08-24 US disclosed
US-9650373-B2 Synthesis of 2-carboxamide cycloamino urea derivatives NOVARTIS AG (CH) 2017-05-16 US disclosed
US-9650373-B2 Synthesis of 2-carboxamide cycloamino urea derivatives NOVARTIS AG (CH) 2017-05-16 US disclosed
US-8450319-B2 Pyrrolopyridazinone compound UBE INDUSTRIES, LTD. (JP) 2013-05-28 US disclosed
EP-1982986-B1 PYRROLOPYRIDAZINONE COMPOUND AS PDE4 INHIBITOR UBE INDUSTRIES (JP) 2012-03-07 EP disclosed
CN-101374844-A Pyrrolopyridazinone compound UBE INDUSTRIES (JP) 2009-02-25 CN disclosed
US-20090036453-A1 Pyrrolopyridazinone Compound UBE INDUSTRIES, LTD. (JP) 2009-02-05 US disclosed
EP-1982986-A1 PYRROLOPYRIDAZINONE COMPOUND Ube Industries, Ltd. (JP) 2008-10-22 EP 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-20170355677-A1 SYNTHESIS OF 2-CARBOXAMIDE CYCLOAMINO UREA DERIVATIVES CPS1, UCK2, UMPS LMNA 3388/4885SMN1; SMN2 3478/4885NPC1 3793/4885
US-20170240509-A1 Synthesis of 2-carboxamide cycloamino urea derivatives CPS1, UCK2, UMPS LMNA 3388/4885SMN1; SMN2 3478/4885NPC1 3793/4885
US-20090036453-A1 Pyrrolopyridazinone Compound CBR3, CBR1, CYC1 LMNA 1679/4885SMN1; SMN2 4613/4885NPC1 1907/4885

“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.