SCHEMBL358181

SCHEMBL358181

N=C(N)NCc1ccccn1

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.62
LMNA P02545 2/20 0.53
NPC1 O15118 3/20 0.53
RAB9A P51151 3/20 0.53
POLB P06746 3/20 0.53
ALDH1A1 P00352 3/20 0.51
KDM4E B2RXH2 1/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
GAA P10253 1/20 0.51
HPGD P15428 4/20 0.51
ALOX15 P16050 2/20 0.50
MAOA P21397 1/20 0.50
MAOB P27338 1/20 0.50
TDP1 Q9NUW8 1/20 0.50

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
Hydrochloric Acid SCHEMBL2814545 0.98 SMN1; SMN2 (0.61) SMN1; SMN2LMNANPC1RAB9APOLB
Hydrochloric Acid SCHEMBL538726 0.98 SMN1; SMN2 (0.61) SMN1; SMN2LMNANPC1RAB9APOLB
Sulfuric Acid SCHEMBL10596948 0.92 SMN1; SMN2 (0.58) SMN1; SMN2NPC1RAB9APOLBALDH1A1
Sulfuric Acid SCHEMBL11117975 0.87 SMN1; SMN2 (0.53) SMN1; SMN2NPC1RAB9APOLBALDH1A1
SCHEMBL1881478 0.86 ALDH1A1 (0.49) SMN1; SMN2LMNARAB9APOLBALDH1A1
SCHEMBL30338321 0.86 ALDH1A1 (0.49) SMN1; SMN2LMNARAB9APOLBALDH1A1
SCHEMBL10310267 0.82 HRH3 (0.56) SMN1; SMN2LMNANPC1RAB9AALDH1A1
SCHEMBL11559305 0.82 SMN1; SMN2 (0.59) SMN1; SMN2LMNANPC1RAB9APOLB
SCHEMBL2454460 0.81 SMN1; SMN2 (0.62) SMN1; SMN2NPC1RAB9APOLBALDH1A1
SCHEMBL357801 0.81 SMN1; SMN2 (0.73) SMN1; SMN2LMNANPC1RAB9APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1320520-B1 SULFONYLGUANIDINE GRUENENTHAL GMBH (DE) 2011-05-11 EP claimed
EP-2018381-A2 USE OF 2-(PURIN-9-YL)-TETRAHYDOFURAN-3,4-DIOL DERIVATIVES AS ADENOSINE A2A RECEPTOR AGONISTS Novartis AG (CH) 2009-01-28 EP claimed
CN-101128473-A Adenosine derivatives having a2a receptor activity NOVARTIS AG (CH) 2008-02-20 CN claimed
WO-2007121918-A2 USE OF 2-(PURIN-9-YL)-TETRAHYDOFURAN-3,4-DIOL DERIVATIVES AS ADENOSINE A2A RECEPTOR AGONISTS NOVARTIS AG (CH) 2007-11-01 WO claimed
EP-1799684-B1 LACTAM COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS MILLENNIUM PHARM INC (US) 2014-12-03 EP disclosed
US-20120178739-A1 LACTAM COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-07-12 US disclosed
US-20120178739-A1 LACTAM COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-07-12 US disclosed
EP-2013211-B1 PURINE DERIVATIVES FOR USE AS ADENOSIN A2A RECEPTOR AGONISTS NOVARTIS AG (CH) 2012-03-14 EP disclosed
US-20110039820-A1 LACTAM COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-02-17 US disclosed
US-20110039820-A1 LACTAM COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-02-17 US disclosed
CN-101952244-A PGD 2The N of acceptor, N-disubstituted amido alkyl biphenyl antagonist AMIRA PHARMACEUTICALS INC 2011-01-19 CN disclosed
US-20090105213-A1 Lactam compounds useful as protein kinase inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-04-23 US disclosed
US-20090105213-A1 Lactam compounds useful as protein kinase inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-04-23 US disclosed
US-7459448-B2 Lactam compounds useful as protein kinase inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-12-02 US disclosed
US-7459448-B2 Lactam compounds useful as protein kinase inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-12-02 US disclosed
CN-101128473-A Adenosine derivatives having a2a receptor activity NOVARTIS AG (CH) 2008-02-20 CN disclosed
WO-2007121920-A2 PURINE DERIVATIVES FOR USE AS ADENOSIN A2A RECEPTOR AGONISTS NOVARTIS AG (CH) 2007-11-01 WO disclosed
EP-0116628-B1 1-ACYL-3-PYRIDYLMETHYLGUANIDINES AND THEIR USE AS ANTIHYPERTENSIVE AGENTS RORER INTERNATIONAL (OVERSEAS) INC. (US) 1989-01-18 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-20120178739-A1 LACTAM COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS PRKCI, PIK3CA, AKT1 SMN1; SMN2 2957/4885LMNA 2877/4885NPC1 2485/4885
US-20090105213-A1 Lactam compounds useful as protein kinase inhibitors PRKCI, PIK3CA, AKT1 SMN1; SMN2 2957/4885LMNA 2877/4885NPC1 2485/4885
US-20110039820-A1 LACTAM COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS PRKCI, PIK3CA, AKT1 SMN1; SMN2 2957/4885LMNA 2877/4885NPC1 2485/4885

“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.