SCHEMBL9954855

SCHEMBL9954855

COc1ccc(NC(=N)N)cn1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.56
MEN1 O00255 6/20 0.56
KDM4E B2RXH2 4/20 0.56
MAPT P10636 1/20 0.56
RAB9A P51151 5/20 0.55
NPC1 O15118 3/20 0.55
ALDH1A1 P00352 2/20 0.55
LMNA P02545 1/20 0.55
HTT P42858 1/20 0.55
PABPC1 P11940 4/20 0.54
POLB P06746 3/20 0.51
SMN1; SMN2 Q16637 2/20 0.50
NNMT P40261 1/20 0.49
GAA P10253 1/20 0.48

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
Nitric Acid SCHEMBL8140768 0.90 KMT2A (0.59) KMT2AMEN1KDM4EMAPTRAB9A
Nitric Acid SCHEMBL27824883 0.90 KMT2A (0.59) KMT2AMEN1KDM4EMAPTRAB9A
Nitric Acid SCHEMBL2086157 0.90 KMT2A (0.59) KMT2AMEN1KDM4EMAPTRAB9A
Nitric Acid SCHEMBL8140767 0.90 KMT2A (0.59) KMT2AMEN1KDM4EMAPTRAB9A
SCHEMBL2397341 0.83 RAB9A (0.58) KMT2AMEN1KDM4EMAPTRAB9A
SCHEMBL22773569 0.83 KMT2A (0.65) KMT2AMEN1KDM4EMAPTRAB9A
SCHEMBL8032376 0.83 KMT2A (0.56) KMT2AMEN1KDM4EMAPTRAB9A
SCHEMBL18743598 0.82 KMT2A (0.49) KMT2AMEN1KDM4EMAPTRAB9A
SCHEMBL10482836 0.78 KMT2A (0.51) KMT2AMEN1KDM4EMAPTRAB9A
SCHEMBL328313 0.77 RAB9A (0.56) KMT2AMEN1KDM4EMAPTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
WO-2012085166-A1 METABOTROPIC GLUTAMATE RECEPTOR MODULATORS MERZ PHARMA GMBH & CO. KGAA (DE) 2012-06-28 WO 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
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 KMT2A 2007/4885MEN1 1532/4885KDM4E 1371/4885
US-20090105213-A1 Lactam compounds useful as protein kinase inhibitors PRKCI, PIK3CA, AKT1 KMT2A 2007/4885MEN1 1532/4885KDM4E 1371/4885
US-20110039820-A1 LACTAM COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS PRKCI, PIK3CA, AKT1 KMT2A 2007/4885MEN1 1532/4885KDM4E 1371/4885

“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.