SCHEMBL15065296

SCHEMBL15065296

C[C@H]1C[C@@H](N(Cc2ccccc2)Cc2ccccc2)CC[C@@H]1N

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
YTHDC1 Q96MU7 1/20 0.42
SLC6A2 P23975 2/20 0.41
SLC6A4 P31645 2/20 0.41
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
RAB9A P51151 1/20 0.41
DRD2 P14416 2/20 0.40
DRD3 P35462 1/20 0.40
KDM4E B2RXH2 1/20 0.39
ATM Q13315 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
SLC6A3 Q01959 1/20 0.38
MAOA P21397 1/20 0.38
GRIN2B Q13224 1/20 0.38
AOC3 Q16853 1/20 0.38
MC4R P32245 1/20 0.36
MC5R P33032 1/20 0.36
MC3R P41968 1/20 0.36
DPP4 P27487 1/20 0.36

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
SCHEMBL12465971 1.00 YTHDC1 (0.42) YTHDC1SLC6A2SLC6A4KMT2AMEN1
SCHEMBL27938356 1.00 YTHDC1 (0.42) YTHDC1SLC6A2SLC6A4KMT2AMEN1
SCHEMBL1192262 0.81 SLC18A3 (0.44) YTHDC1SLC6A2SLC6A4KMT2AMEN1
SCHEMBL1192148 0.81 SLC18A3 (0.44) YTHDC1SLC6A2SLC6A4KMT2AMEN1
SCHEMBL12468294 0.81 SLC18A3 (0.44) YTHDC1SLC6A2SLC6A4KMT2AMEN1
SCHEMBL12466177 0.81 SLC18A3 (0.44) YTHDC1SLC6A2SLC6A4KMT2AMEN1
SCHEMBL23583787 0.80 YTHDC1 (0.46) YTHDC1SLC6A2SLC6A4KMT2AMEN1
SCHEMBL27987897 0.80 YTHDC1 (0.46) YTHDC1SLC6A2SLC6A4KMT2AMEN1
SCHEMBL14795012 0.80 YTHDC1 (0.46) YTHDC1SLC6A2SLC6A4KMT2AMEN1
SCHEMBL3376962 0.77 YTHDC1 (0.58) YTHDC1SLC6A2SLC6A4KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2459535-B1 PYRIDINE AND PYRAZINE DERIVATIVES AS PROTEIN KINASE MODULATORS NOVARTIS AG (CH) 2015-03-25 EP disclosed
US-20140288076-A1 HETEROARYL COMPOUNDS AND THEIR USES NOVARTIS AG (CH) 2014-09-25 US disclosed
US-8778951-B2 Heteroaryl compounds and their uses NOVARTIS AG (CH) 2014-07-15 US disclosed
US-20130303507-A1 SUBSTITUTED HETERO-BIARYL COMPOUNDS AND THEIR USES NOVARTIS AG (CH) 2013-11-14 US disclosed
US-20130172354-A1 HETEROARYL COMPOUNDS AND THEIR USES NOVARTIS AG (CH) 2013-07-04 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-20130172354-A1 HETEROARYL COMPOUNDS AND THEIR USES CDK9, CDK19, CDK3 YTHDC1 4199/4885SLC6A2 3437/4885SLC6A4 3612/4885
US-20140288076-A1 HETEROARYL COMPOUNDS AND THEIR USES CDK9, CDK19, CDK3 YTHDC1 4199/4885SLC6A2 3437/4885SLC6A4 3612/4885
US-20130303507-A1 SUBSTITUTED HETERO-BIARYL COMPOUNDS AND THEIR USES CDK9, CDK19, CDK3 YTHDC1 4459/4885SLC6A2 4440/4885SLC6A4 4402/4885

“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.