SCHEMBL4824880

SCHEMBL4824880

NN=C(Nc1ccc(Br)cc1)c1ccccc1F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.49
KMT2A Q03164 7/20 0.49
MAPT P10636 7/20 0.49
RAB9A P51151 5/20 0.49
NPC1 O15118 4/20 0.49
LMNA P02545 4/20 0.49
HTT P42858 4/20 0.49
ALDH1A1 P00352 3/20 0.49
TDP1 Q9NUW8 1/20 0.49
CTSL P07711 1/20 0.46
SMN1; SMN2 Q16637 5/20 0.45
KAT6A Q92794 1/20 0.43
MAOA P21397 2/20 0.42
MAOB P27338 2/20 0.42
MAPK1 P28482 1/20 0.41
GRIN2D O15399 1/20 0.40
GRIN3B O60391 1/20 0.40
GRIN1 Q05586 1/20 0.40
GRIN2A Q12879 1/20 0.40
GRIN2B Q13224 1/20 0.40

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
SCHEMBL4824879 1.00 MEN1 (0.49) MEN1KMT2AMAPTRAB9ANPC1
SCHEMBL4822814 0.85 MAPT (0.50) MEN1KMT2AMAPTRAB9ANPC1
SCHEMBL1753018 0.77 MEN1 (0.51) MEN1KMT2AMAPTRAB9ANPC1
SCHEMBL4828305 0.77 MEN1 (0.59) MEN1KMT2AMAPTRAB9ANPC1
SCHEMBL4825016 0.77 KMT2A (0.83) MEN1KMT2AMAPTRAB9ANPC1
SCHEMBL15540046 0.76 RAB9A (0.45) MEN1KMT2AMAPTRAB9ANPC1
SCHEMBL1463431 0.70 NPC1 (0.49) MEN1KMT2AMAPTRAB9ANPC1
SCHEMBL20180830 0.70 NPC1 (0.48) MEN1KMT2AMAPTRAB9ANPC1
SCHEMBL20167669 0.70 NPC1 (0.48) MEN1KMT2AMAPTRAB9ANPC1
SCHEMBL16919552 0.69 HTT (0.47) MEN1KMT2AMAPTRAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7400979-B2 Kinase inhibitors; genetic engineering ABBOTT LABORATORIES (US) 2008-07-15 US disclosed
US-7332497-B2 As inhibitors of protein kinases ABBOTT GMBH & CO KG (DE) 2008-02-19 US disclosed
US-6921763-B2 Pyrazolopyrimidines as therapeutic agents ABBOTT LABORATORIES (US) 2005-07-26 US disclosed
US-20040006083-A1 Pyrazolopyrimidines as therapeutic agents ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2004-01-08 US disclosed
US-20030175935-A1 Method of identifying inhibitors of Lck ABBVIE INC. 2003-09-18 US disclosed
US-20020156081-A1 Pyrazolopyrimidines as therapeutic agents ABBOTT LABORATORIES (US) 2002-10-24 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-20040006083-A1 Pyrazolopyrimidines as therapeutic agents DPYD, UGT1A1, ABCB1 MEN1 2926/4885KMT2A 3130/4885MAPT 3448/4885
US-20030175935-A1 Method of identifying inhibitors of Lck LCK, FYN, ZAP70 MEN1 4263/4885KMT2A 2625/4885MAPT 2765/4885
US-20020156081-A1 Pyrazolopyrimidines as therapeutic agents DPYD, CYP2D6, UGT1A1 MEN1 2274/4885KMT2A 3670/4885MAPT 3263/4885

“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.