SCHEMBL900425

SCHEMBL900425

CC(Br)C=CC(=O)N1CCN(c2ccnc3ccccc23)CC1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
AKT1 P31749 1/20 0.49
PDGFRB P09619 1/20 0.48
NCF1 P14598 2/20 0.47
ADRB2 P07550 1/20 0.47
DRD2 P14416 1/20 0.47
DRD3 P35462 1/20 0.47
KCNH2 Q12809 2/20 0.45
CLK1 P49759 1/20 0.45
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
IDE P14735 2/20 0.43
CCR5 P51681 1/20 0.42

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
SCHEMBL900424 1.00 MEN1 (0.50) MEN1KMT2AAKT1PDGFRBNCF1
SCHEMBL900422 1.00 MEN1 (0.50) MEN1KMT2AAKT1PDGFRBNCF1
SCHEMBL30572691 0.84 MEN1 (0.57) MEN1KMT2AAKT1PDGFRBNCF1
SCHEMBL900432 0.80 AKT1 (0.53) MEN1KMT2AAKT1PDGFRBNCF1
SCHEMBL903257 0.80 AKT1 (0.53) MEN1KMT2AAKT1PDGFRBNCF1
SCHEMBL900431 0.80 AKT1 (0.53) MEN1KMT2AAKT1PDGFRBNCF1
SCHEMBL899516 0.79 AKT1 (0.50) MEN1KMT2AAKT1PDGFRBNCF1
SCHEMBL900237 0.79 AKT1 (0.50) MEN1KMT2AAKT1PDGFRBNCF1
SCHEMBL899515 0.79 AKT1 (0.50) MEN1KMT2AAKT1PDGFRBNCF1
SCHEMBL14515648 0.78 CLK1 (0.68) MEN1KMT2AAKT1PDGFRBNCF1

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-2621923-B1 N-HETEROARYL COMPOUNDS WITH CYCLIC BRIDGING UNIT FOR THE TREATMENT OF PARASITIC DISEASES INTERVET INT BV (NL) 2017-03-29 EP disclosed
US-8883791-B2 N-heteroaryl compounds with cyclic bridging unit for the treatment of parasitic diseases INTERVET INC. (US) 2014-11-11 US disclosed
US-20130203768-A1 N-HETEROARYL COMPOUNDS WITH CYCLIC BRIDGING UNIT FOR THE TREATMENT OF PARASITIC DISEASES INTERVET INC. 2013-08-08 US disclosed
EP-2621923-A1 N-HETEROARYL COMPOUNDS WITH CYCLIC BRIDGING UNIT FOR THE TREATMENT OF PARASITIC DISEASES Intervet International B.V. (NL) 2013-08-07 EP disclosed
WO-2012041872-A1 N-HETEROARYL COMPOUNDS WITH CYCLIC BRIDGING UNIT FOR THE TREATMENT OF PARASITIC DISEASES INTERVET INTERNATIONAL B.V. (NL) 2012-04-05 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-20130203768-A1 N-HETEROARYL COMPOUNDS WITH CYCLIC BRIDGING UNIT FOR THE TREATMENT OF PARASITIC DISEASES PIGO, HNMT, PIGS MEN1 1483/4885KMT2A 2910/4885AKT1 3807/4885

“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.