SCHEMBL360013

SCHEMBL360013

CSc1cccc(NC(=O)N[C@@H]2CCN(C)C2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.56
MEN1 O00255 4/20 0.54
KMT2A Q03164 4/20 0.54
TP53 P04637 1/20 0.54
POLB P06746 1/20 0.54
MAPK1 P28482 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
HSD17B10 Q99714 1/20 0.54
CYP1A2 P05177 2/20 0.50
CYP3A4 P08684 2/20 0.50
TSHR P16473 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
KDM4E B2RXH2 1/20 0.49
LMNA P02545 1/20 0.49
CCR3 P51677 1/20 0.48
UBE2M P61081 1/20 0.48
DCUN1D1 Q96GG9 1/20 0.48
SIGMAR1 Q99720 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
SCHEMBL10211592 0.93 MAPT (0.54) MAPTMEN1KMT2ATP53POLB
SCHEMBL359516 0.85 SIGMAR1 (0.61) MAPTMEN1KMT2APOLBSMN1; SMN2
SCHEMBL1911244 0.85 SIGMAR1 (0.61) MAPTMEN1KMT2APOLBSMN1; SMN2
SCHEMBL1912322 0.84 EPHX2 (0.50) MEN1KMT2ASMN1; SMN2CYP1A2CCR3
SCHEMBL2751753 0.82 RAB9A (0.67) MAPTMEN1KMT2ATP53POLB
SCHEMBL356730 0.82 CTSL (0.65) KMT2ASMN1; SMN2TSHRCCR3DCUN1D1
SCHEMBL12084919 0.79 CA12 (0.66) MAPTPOLB
SCHEMBL358309 0.79 CA12 (0.66) MAPTPOLB
SCHEMBL18657821 0.79 SIGMAR1 (0.78) MEN1KMT2APOLBSMN1; SMN2CCR3
SCHEMBL10210838 0.77 NPC1 (0.70) MEN1KMT2ASMN1; SMN2TSHRLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8318750-B2 Organic compounds NOVARTIS AG (NL) 2012-11-27 US disclosed
US-8318750-B2 Organic compounds NOVARTIS AG (NL) 2012-11-27 US disclosed
US-8258141-B2 Organic compounds NOVARTIS AG (CH) 2012-09-04 US disclosed
US-8258141-B2 Organic compounds NOVARTIS AG (CH) 2012-09-04 US disclosed
EP-2013211-B1 PURINE DERIVATIVES FOR USE AS ADENOSIN A2A RECEPTOR AGONISTS NOVARTIS AG (CH) 2012-03-14 EP disclosed
US-20120004247-A1 ORGANIC COMPOUNDS NOVARTIS AG 2012-01-05 US disclosed
US-20120004247-A1 ORGANIC COMPOUNDS NOVARTIS AG 2012-01-05 US disclosed
US-20120004212-A1 ORGANIC COMPOUNDS NOVARTIS AG 2012-01-05 US disclosed
US-20120004212-A1 ORGANIC COMPOUNDS NOVARTIS AG 2012-01-05 US disclosed
EP-2322525-A1 Purine derivatives for use as adenosin A2A receptor agonists Novartis AG (CH) 2011-05-18 EP disclosed
US-20100286126-A1 Organic Compounds NOVARTIS AG (CH) 2010-11-11 US disclosed
US-20100286126-A1 Organic Compounds NOVARTIS AG (CH) 2010-11-11 US disclosed
WO-2007121920-A2 PURINE DERIVATIVES FOR USE AS ADENOSIN A2A RECEPTOR AGONISTS NOVARTIS AG (CH) 2007-11-01 WO 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-20100286126-A1 Organic Compounds CYP3A43, SLCO1B3, CYP2C19 MAPT 1870/4885MEN1 332/4885KMT2A 4190/4885
US-20120004212-A1 ORGANIC COMPOUNDS CYP3A43, SLCO1B3, CYP2C19 MAPT 1870/4885MEN1 332/4885KMT2A 4190/4885
US-20120004247-A1 ORGANIC COMPOUNDS CYP3A43, SLCO1B3, CYP2C19 MAPT 1870/4885MEN1 332/4885KMT2A 4190/4885

“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.