SCHEMBL10310201

SCHEMBL10310201

N=C(N)N[C@H]1CC1c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.59
NPSR1 Q6W5P4 1/20 0.59
KDM1A O60341 13/20 0.54
MAOA P21397 5/20 0.50
EPHX2 P34913 2/20 0.50
TLR2 O60603 1/20 0.49
TLR1 Q15399 1/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
CNR1 P21554 1/20 0.48
MAOB P27338 4/20 0.47
KDM1B Q8NB78 1/20 0.47
RCOR1 Q9UKL0 1/20 0.47
PLG P00747 1/20 0.46
PLAU P00749 1/20 0.46
PLAT P00750 1/20 0.46
KLK1 P06870 1/20 0.46

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
SCHEMBL13998899 1.00 SMN1; SMN2 (0.59) SMN1; SMN2NPSR1KDM1AMAOAEPHX2
SCHEMBL23135314 0.84 SMN1; SMN2 (0.41) SMN1; SMN2NPSR1KDM1AMAOAEPHX2
SCHEMBL31018747 0.81 SMN1; SMN2 (0.69) SMN1; SMN2NPSR1KDM1AMAOAEPHX2
SCHEMBL20696269 0.81 SMN1; SMN2 (0.69) SMN1; SMN2NPSR1KDM1AMAOAEPHX2
SCHEMBL18974768 0.81 SMN1; SMN2 (0.59) SMN1; SMN2NPSR1KDM1AMAOAEPHX2
SCHEMBL8294081 0.81 SMN1; SMN2 (0.69) SMN1; SMN2NPSR1KDM1AMAOAEPHX2
SCHEMBL22293284 0.81 SMN1; SMN2 (0.59) SMN1; SMN2NPSR1KDM1AMAOAEPHX2
SCHEMBL5531089 0.81 SMN1; SMN2 (0.69) SMN1; SMN2NPSR1KDM1AMAOAEPHX2
SCHEMBL23135430 0.80 SMN1; SMN2 (0.41) SMN1; SMN2NPSR1KDM1AMAOAEPHX2
SCHEMBL3457343 0.77 SMN1; SMN2 (0.73) SMN1; SMN2NPSR1KDM1AMAOAEPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
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

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 2957/4885NPSR1 4631/4885KDM1A 2013/4885
US-20090105213-A1 Lactam compounds useful as protein kinase inhibitors PRKCI, PIK3CA, AKT1 SMN1; SMN2 2957/4885NPSR1 4631/4885KDM1A 2013/4885
US-20110039820-A1 LACTAM COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS PRKCI, PIK3CA, AKT1 SMN1; SMN2 2957/4885NPSR1 4631/4885KDM1A 2013/4885

“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.