SCHEMBL3517686

SCHEMBL3517686

[O]CCCNC(=O)C1CC1

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.52
NAAA Q02083 1/20 0.52
GNAI3 P08754 3/20 0.47
GNAO1 P09471 3/20 0.47
GNAI1 P63096 3/20 0.47
KEAP1 Q14145 1/20 0.45
NFE2L2 Q16236 1/20 0.45
TSHR P16473 1/20 0.41
GAA P10253 1/20 0.41
CYP3A4 P08684 1/20 0.41
EPHX1 P07099 1/20 0.41
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
NAMPT P43490 1/20 0.40
HSD17B10 Q99714 1/20 0.39
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
PRCP P42785 1/20 0.38

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
SCHEMBL4579029 0.86
SCHEMBL10045233 0.82 NAAA (0.52) KMT2ANAAAGNAI3GNAO1GNAI1
SCHEMBL3517689 0.82 NAAA (0.52) KMT2ANAAAGNAI3GNAO1GNAI1
SCHEMBL3794825 0.80 GNAI3 (0.50) KMT2ANAAAGNAI3GNAO1GNAI1
SCHEMBL15609572 0.80 NAAA (0.50) KMT2ANAAAGNAI3GNAO1GNAI1
SCHEMBL1689436 0.80 KMT2A (0.50) KMT2ANAAAGNAI3GNAO1GNAI1
SCHEMBL1679331 0.80 NAAA (0.70) KMT2ANAAAGNAI3GNAO1GNAI1
SCHEMBL377246 0.78 NAAA (0.79) NAAAGNAI3GNAO1GNAI1GAA
SCHEMBL2331473 0.78 EPHX2 (0.51) KMT2ANAAAGNAI3GNAO1GNAI1
SCHEMBL9511929 0.77 NAAA (0.83) NAAAGNAI3GNAO1GNAI1EPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100311729-A1 Substituted imidazopyridazines and pyrrolopyrimidines as lipid kinase inhibitors CAPRARO HANS-GEORG 2010-12-09 US disclosed
CN-101678026-A 3, 6-disubstituted-imidazo [1, 2-B] pyridazines and 3, 5-disubstituted pyrazolo[1, 5-A] pyrimidines as phosphatidylinositol-3-kinase inhibitors NOVARTIS AG 2010-03-24 CN disclosed
EP-2155202-A2 3,6-DISUBSTITUTED-IMIDAZO[1,2-B]PYRIDAZINES AND 3,5-DISUBSTITUTED PYRAZOLO[1,5-A]PYRIMIDINES AS PHOSPHATIDYLINOSITOL-3-KINASE INHIBITORS Novartis Ag (CH) 2010-02-24 EP disclosed
WO-2008138889-A2 3, 6-DISUBSTITUTED-IMIDAZO [1, 2-B] PYRIDAZINES AND 3, 5-DISUBSTITUTED PYRAZOLO[1, 5-A] PYRIMIDINES AS PHOSPHATIDYLINOSITOL-3-KINASE INHIBITORS NOVARTIS AG (CH) 2008-11-20 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 (1 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-20100311729-A1 Substituted imidazopyridazines and pyrrolopyrimidines as lipid kinase inhibitors PI4KA, PIP5K1B, PIP4K2A KMT2A 3440/4885NAAA 4136/4885GNAI3 627/4885

“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.