SCHEMBL440423

SCHEMBL440423

c1nnc(-c2conn2)o1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 15/20 0.42
TSHR P16473 1/20 0.40
MAPT P10636 2/20 0.34
TLR8 Q9NR97 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34

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
SCHEMBL12906161 0.72 NOTUM (0.59) NOTUMTSHRMAPTTLR8KDM4E
SCHEMBL13484029 0.67 NOTUM (0.46) NOTUMTSHRMAPTKDM4EALDH1A1
SCHEMBL15611162 0.67 NOTUM (0.39) NOTUMTSHRMAPTTLR8KDM4E
SCHEMBL12446805 0.65 NOTUM (0.66) NOTUMTLR8KDM4E
SCHEMBL17694561 0.64 NOTUM (0.78) NOTUMTSHRMAPTTLR8KDM4E
SCHEMBL28271180 0.64 ENPP3 (0.31)
SCHEMBL539177 0.64 NOTUM (0.41) NOTUMTSHRALDH1A1LMNA
SCHEMBL2241254 0.64 NOTUM (0.41) NOTUMTSHRMAPTTLR8KDM4E
SCHEMBL27009014 0.64 NOTUM (0.41) NOTUMTSHRMAPTTLR8ALDH1A1
SCHEMBL5959922 0.63 NOTUM (0.39) NOTUMTSHRMAPTTLR8KDM4E

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
US-9949979-B2 Use of inhibitors of the activity or function of PI3K NOVARTIS AG (CH) 2018-04-24 US claimed
EP-2790705-B1 USE OF INHIBITORS OF THE ACTIVITY OR FUNCTION OF PI3K NOVARTIS AG (CH) 2017-12-06 EP claimed
EP-2590974-B1 TETRAHYDRO-PYRIDO-PYRIMIDINE DERIVATIVES NOVARTIS AG (CH) 2014-05-21 EP claimed
US-8653092-B2 Tetrahydro-pyrido-pyrimidine derivatives NOVARTIS AG (CH) 2014-02-18 US claimed
CN-1674899-A Use of IkappaB-kinase inhibitors in pain therapy AVENTIS PHARMA GMBH (DE) 2005-09-28 CN claimed
CN-1675196-A Indole derivatives or benzimidazole derivatives for modulating IKB kinase AVENTIS PHARMA GMBH (DE) 2005-09-28 CN claimed
EP-2790705-B1 USE OF INHIBITORS OF THE ACTIVITY OR FUNCTION OF PI3K NOVARTIS AG (CH) 2017-12-06 EP disclosed
US-20160052912-A1 DIAMINOHETEROARYL SUBSTITUTED INDAZOLES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-02-25 US disclosed
US-9265763-B2 2016-02-23 US disclosed
EP-2616465-B1 TRIAZINE-OXADIAZOLES NOVARTIS AG (CH) 2015-11-04 EP disclosed
US-8987286-B2 Substituted pyrimido[1,2-b]indazoles and their use as modulators of the Pi3K/Akt pathway BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-03-24 US disclosed
EP-2590974-B1 TETRAHYDRO-PYRIDO-PYRIMIDINE DERIVATIVES NOVARTIS AG (CH) 2014-05-21 EP disclosed
US-20140051676-A1 Triazine-oxadiazoles NOVARTIS AG (CH) 2014-02-20 US disclosed
US-8653092-B2 Tetrahydro-pyrido-pyrimidine derivatives NOVARTIS AG (CH) 2014-02-18 US disclosed
US-20120065183-A1 Tetrahydro-Pyrido-Pyrimidine Derivatives NOVARTIS AG (CH) 2012-03-15 US disclosed
CN-100398107-C Use of IkappaB-kinase inhibitors in pain therapy AVENTIS PHARMA GMBH (DE) 2008-07-02 CN disclosed
CN-1675196-A Indole derivatives or benzimidazole derivatives for modulating IKB kinase AVENTIS PHARMA GMBH (DE) 2005-09-28 CN disclosed
CN-1674899-A Use of IkappaB-kinase inhibitors in pain therapy AVENTIS PHARMA GMBH (DE) 2005-09-28 CN 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-20120065183-A1 Tetrahydro-Pyrido-Pyrimidine Derivatives PIK3CA, TYMP, TYMS NOTUM 2780/4885TSHR 1204/4885MAPT 2283/4885
US-20140051676-A1 Triazine-oxadiazoles OPRK1, OPRD1, OPRL1 NOTUM 3296/4885TSHR 1712/4885MAPT 2602/4885
US-20160052912-A1 DIAMINOHETEROARYL SUBSTITUTED INDAZOLES BUB1, BUB1B, BUB3 NOTUM 3324/4885TSHR 3830/4885MAPT 712/4885

“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.