SCHEMBL1397009

SCHEMBL1397009

O=C(O)NCCn1cnc2cnc(Br)cc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.45
MTNR1B P49286 1/20 0.45
MAPT P10636 3/20 0.39
ALDH1A1 P00352 2/20 0.39
POLB P06746 2/20 0.39
CASP1 P29466 3/20 0.39
EGLN3 Q9H6Z9 1/20 0.37
LMNA P02545 3/20 0.35
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
HDAC1 Q13547 3/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
LNPEP Q9UIQ6 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TP53 P04637 1/20 0.32

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
SCHEMBL30482453 0.84 MTNR1A (0.45) MTNR1AMTNR1BMAPTALDH1A1POLB
SCHEMBL12985213 0.82 MTNR1A (0.45) MTNR1AMTNR1BMAPTALDH1A1POLB
SCHEMBL2144407 0.81 MTNR1A (0.54) MTNR1AMTNR1BMAPTALDH1A1POLB
SCHEMBL2144935 0.78 MTNR1A (0.45) MTNR1AMTNR1BMAPTCASP1EGLN3
SCHEMBL16168208 0.75 MAPT (0.38) MAPTALDH1A1POLBEGLN3LMNA
SCHEMBL10454788 0.74 EGLN3 (0.66) MAPTALDH1A1CASP1EGLN3LMNA
SCHEMBL1396998 0.71 EGFR (0.45) MAPTPOLBLMNAKMT2AMEN1
SCHEMBL2492804 0.71 NPC1 (0.43) MAPTALDH1A1POLBLMNAKMT2A
SCHEMBL2144110 0.71 MTNR1A (0.49) MTNR1AMTNR1BMAPTALDH1A1POLB
SCHEMBL20786959 0.70 USP7 (0.46) MAPTALDH1A1POLBLMNAKMT2A

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-2288601-B1 BICYCLYLARYL-ARYL-AMINE COMPOUNDS AND THEIR USE CANCER REC TECH LTD (GB) 2014-10-15 EP disclosed
US-8530468-B2 Bicyclylaryl-aryl-amine compounds and their use CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2013-09-10 US disclosed
EP-2288601-A1 BICYCLYLARYL-ARYL-AMINE COMPOUNDS AND THEIR USE Cancer Research Technology Limited (GB) 2011-03-02 EP disclosed
US-20100331328-A1 BICYCLYLARYL-ARYL-AMINE COMPOUNDS AND THEIR USE CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2010-12-30 US disclosed
WO-2009103966-A1 BICYCLYLARYL-ARYL-AMINE COMPOUNDS AND THEIR USE CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2009-08-27 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-20100331328-A1 BICYCLYLARYL-ARYL-AMINE COMPOUNDS AND THEIR USE CHEK1, CHEK2, BUB1B MTNR1A 2840/4885MTNR1B 3465/4885MAPT 669/4885

“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.