SCHEMBL4518374

SCHEMBL4518374

NCCNc1nc(-c2ccc(F)cc2O)nc2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.53
KMT2A Q03164 7/20 0.53
RXFP1 Q9HBX9 1/20 0.53
MAPT P10636 5/20 0.50
POLB P06746 3/20 0.50
MAPK1 P28482 2/20 0.50
ROCK2 O75116 1/20 0.50
ROCK1 Q13464 1/20 0.50
PKN2 Q16513 1/20 0.50
LMNA P02545 3/20 0.49
HIF1A Q16665 2/20 0.49
NPSR1 Q6W5P4 2/20 0.49
PTK2B Q14289 1/20 0.49
CYP1A2 P05177 3/20 0.49
ALDH1A1 P00352 2/20 0.49
CYP2D6 P10635 2/20 0.49
ALOX15 P16050 2/20 0.49
USP2 O75604 1/20 0.49
CYP3A4 P08684 1/20 0.49
HSD17B10 Q99714 1/20 0.49

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
SCHEMBL4514136 0.92 CHEK2 (0.56) MEN1KMT2ARXFP1MAPTPOLB
SCHEMBL3917004 0.86 MEN1 (0.70) MEN1KMT2ARXFP1MAPTPOLB
SCHEMBL4516779 0.80 CHEK2 (0.56) MEN1KMT2ARXFP1MAPTPOLB
SCHEMBL3907112 0.80 MEN1 (0.64) MEN1KMT2ARXFP1MAPTPOLB
SCHEMBL1083842 0.79 MEN1 (0.67) MEN1KMT2ARXFP1MAPTPOLB
SCHEMBL4511273 0.78 CYP1A2 (0.78) MEN1KMT2AMAPTMAPK1LMNA
SCHEMBL13673955 0.77 CYP1A2 (0.59) MEN1KMT2AMAPTPOLBMAPK1
SCHEMBL3918507 0.77 MEN1 (0.54) MEN1KMT2ARXFP1MAPTPOLB
SCHEMBL17770433 0.76 PDE5A (0.73) MEN1KMT2APOLBMAPK1ROCK2
SCHEMBL3920952 0.76 MEN1 (0.53) MEN1KMT2ARXFP1MAPTPOLB

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-20090247519-A1 AMINO-ETHYL-AMINO-ARYL (AEAA) COMPOUNDS AND THEIR USE CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2009-10-01 US disclosed
US-20090247519-A1 AMINO-ETHYL-AMINO-ARYL (AEAA) COMPOUNDS AND THEIR USE CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2009-10-01 US disclosed
US-20090247519-A1 AMINO-ETHYL-AMINO-ARYL (AEAA) COMPOUNDS AND THEIR USE CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2009-10-01 US disclosed
WO-2007125331-A2 AMINO-ETHYL-AMINO-ARYL (AEAA) COMPOUNDS AND THEIR USE CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2007-11-08 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-20090247519-A1 AMINO-ETHYL-AMINO-ARYL (AEAA) COMPOUNDS AND THEIR USE PKD2, PKD1, AADAT MEN1 4237/4885KMT2A 230/4885RXFP1 3771/4885

“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.